2025-01-24 10:31 ftp://ftp.de.debian.org/debian/pool/main/m/molds/molds_0.3.1.orig.tar.gz cppcheck-options: --library=posix --library=gnu --library=bsd --library=boost --library=openmp --inconclusive --enable=style,information --inline-suppr --template=daca2 --disable=missingInclude --suppress=unmatchedSuppression --check-library --debug-warnings --suppress=autoNoType --suppress=valueFlowBailout --suppress=bailoutUninitVar --suppress=symbolDatabaseWarning --suppress=normalCheckLevelConditionExpressions -D__GNUC__ --platform=unix64 -j4 platform: Linux-6.1.0-29-amd64-x86_64-with-glibc2.36 python: 3.11.2 client-version: 1.3.64 compiler: g++ (Debian 12.2.0-14) 12.2.0 cppcheck: head 2.16.0 head-info: a1a415d (2025-01-23 15:05:36 +0100) count: 1083 1087 elapsed-time: 1433.9 1761.5 head-timing-info: old-timing-info: head results: molds-0.3.1/src/base/EularAngle.cpp:66:32: style: Parameter 'angles' can be declared as pointer to const [constParameterPointer] molds-0.3.1/src/base/Parameters.h:64:41: debug: Function::addArguments found argument 'requires' with varid 0. [varid0] molds-0.3.1/src/base/Parameters.h:138:57: debug: Function::addArguments found argument 'requires' with varid 0. [varid0] molds-0.3.1/src/base/Parameters.h:140:68: debug: Function::addArguments found argument 'requires' with varid 0. [varid0] molds-0.3.1/src/base/Parameters.h:145:53: debug: Function::addArguments found argument 'requires' with varid 0. [varid0] molds-0.3.1/src/base/MallocerFreer.h:36:21: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable T [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/MallocerFreer.h:56:41: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable T [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/MallocerFreer.h:154:7: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable T [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/MallocerFreer.h:183:7: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable T [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/MallocerFreer.h:200:7: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable T [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/MallocerFreer.h:230:7: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable T [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/MallocerFreer.h:247:7: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable T [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/MallocerFreer.h:278:7: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable T [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/MallocerFreer.h:295:7: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable T [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/MallocerFreer.h:327:7: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable T [valueFlowBailoutIncompleteVar] molds-0.3.1/src/mpi/MpiProcess.h:134:58: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable T [valueFlowBailoutIncompleteVar] molds-0.3.1/src/Main.cpp:47:15: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable cout [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/GTOExpansionSTO.cpp:77:77: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/GTOExpansionSTO.cpp:100:77: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/MolDS.h:22:1: style: The class 'MolDS' does not declare a constructor although it has private member variables which likely require initialization. [noConstructor] molds-0.3.1/src/base/MallocerFreer.h:41:30: performance:inconclusive: Technically the member function 'MolDS_base::MallocerFreer::Initialize' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/base/MallocerFreer.h:55:32: performance:inconclusive: Technically the member function 'MolDS_base::MallocerFreer::GetMemoryAmount' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/mpi/MpiProcess.h:31:8: performance:inconclusive: Technically the member function 'MolDS_mpi::MpiProcess::GetHeadRank' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/base/MallocerFreer.h:338:5: style: The destructor '~MallocerFreer' overrides a destructor in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/PrintController.h:27:13: note: Virtual destructor in base class molds-0.3.1/src/base/MallocerFreer.h:338:5: note: Destructor in derived class molds-0.3.1/src/base/atoms/Atom.h:26:13: style: The destructor '~Atom' overrides a destructor in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/PrintController.h:27:13: note: Virtual destructor in base class molds-0.3.1/src/base/atoms/Atom.h:26:13: note: Destructor in derived class molds-0.3.1/src/base/Molecule.h:28:5: style: The destructor '~Molecule' overrides a destructor in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/PrintController.h:27:13: note: Virtual destructor in base class molds-0.3.1/src/base/Molecule.h:28:5: note: Destructor in derived class molds-0.3.1/src/base/MallocerFreer.h:80:10: style: Throwing a copy of the caught exception instead of rethrowing the original exception. [exceptRethrowCopy] molds-0.3.1/src/base/MallocerFreer.h:125:10: style: Throwing a copy of the caught exception instead of rethrowing the original exception. [exceptRethrowCopy] molds-0.3.1/src/base/MallocerFreer.h:171:10: style: Throwing a copy of the caught exception instead of rethrowing the original exception. [exceptRethrowCopy] molds-0.3.1/src/base/MallocerFreer.h:218:10: style: Throwing a copy of the caught exception instead of rethrowing the original exception. [exceptRethrowCopy] molds-0.3.1/src/base/MallocerFreer.h:266:10: style: Throwing a copy of the caught exception instead of rethrowing the original exception. [exceptRethrowCopy] molds-0.3.1/src/base/MallocerFreer.h:315:10: style: Throwing a copy of the caught exception instead of rethrowing the original exception. [exceptRethrowCopy] molds-0.3.1/src/mpi/MpiProcess.h:112:10: style: Throwing a copy of the caught exception instead of rethrowing the original exception. [exceptRethrowCopy] molds-0.3.1/src/base/MallocerFreer.h:77:7: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/base/MallocerFreer.h:122:7: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/base/MallocerFreer.h:168:7: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/base/MallocerFreer.h:215:7: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/base/MallocerFreer.h:263:7: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/base/MallocerFreer.h:312:7: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/mpi/MpiProcess.h:110:7: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/mpi/MpiProcess.h:36:14: style: The scope of the variable 'startTime' can be reduced. [variableScope] molds-0.3.1/src/mpi/MpiProcess.h:37:14: style: The scope of the variable 'endTime' can be reduced. [variableScope] molds-0.3.1/src/mpi/MpiProcess.h:50:14: style: The scope of the variable 'startTime' can be reduced. [variableScope] molds-0.3.1/src/mpi/MpiProcess.h:51:14: style: The scope of the variable 'endTime' can be reduced. [variableScope] molds-0.3.1/src/mpi/MpiProcess.h:64:14: style: The scope of the variable 'startTime' can be reduced. [variableScope] molds-0.3.1/src/mpi/MpiProcess.h:65:14: style: The scope of the variable 'endTime' can be reduced. [variableScope] molds-0.3.1/src/mpi/MpiProcess.h:87:14: style: The scope of the variable 'startTime' can be reduced. [variableScope] molds-0.3.1/src/mpi/MpiProcess.h:88:14: style: The scope of the variable 'endTime' can be reduced. [variableScope] molds-0.3.1/src/base/MallocerFreer.h:33:15: style: Checking if unsigned expression 'size1' is less than zero. [unsignedLessThanZero] molds-0.3.1/src/base/MallocerFreer.h:62:21: style: Checking if unsigned expression 'size1*size2' is less than zero. [unsignedLessThanZero] molds-0.3.1/src/base/MallocerFreer.h:105:27: style: Checking if unsigned expression 'size1*size2*size3' is less than zero. [unsignedLessThanZero] molds-0.3.1/src/base/MallocerFreer.h:150:33: style: Checking if unsigned expression 'size1*size2*size3*size4' is less than zero. [unsignedLessThanZero] molds-0.3.1/src/base/MallocerFreer.h:196:39: style: Checking if unsigned expression 'size1*size2*size3*size4*size5' is less than zero. [unsignedLessThanZero] molds-0.3.1/src/base/MallocerFreer.h:243:45: style: Checking if unsigned expression 'size1*size2*size3*size4*size5*size6' is less than zero. [unsignedLessThanZero] molds-0.3.1/src/base/MallocerFreer.h:291:51: style: Checking if unsigned expression 'size1*size2*size3*size4*size5*size6*size7' is less than zero. [unsignedLessThanZero] molds-0.3.1/src/base/MallocerFreer.h:183:10: style: Variable 'p1d' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/mpi/MpiProcess.h:36:23: style: Variable 'startTime' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/mpi/MpiProcess.h:37:21: style: Variable 'endTime' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/mpi/MpiProcess.h:50:23: style: Variable 'startTime' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/mpi/MpiProcess.h:51:21: style: Variable 'endTime' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/mpi/MpiProcess.h:64:23: style: Variable 'startTime' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/mpi/MpiProcess.h:65:21: style: Variable 'endTime' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/mpi/MpiProcess.h:87:23: style: Variable 'startTime' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/mpi/MpiProcess.h:88:21: style: Variable 'endTime' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/am1/Am1.h:44:18: performance:inconclusive: Technically the member function 'MolDS_am1::Am1::GetAdditionalDiatomCoreRepulsionTerm' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/am1/Am1.h:47:18: performance:inconclusive: Technically the member function 'MolDS_am1::Am1::GetAdditionalDiatomCoreRepulsionTerm1stDerivative' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/am1/Am1.h:50:18: performance:inconclusive: Technically the member function 'MolDS_am1::Am1::GetAdditionalDiatomCoreRepulsionTerm2ndDerivative' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/base/atoms/Hatom.h:25:4: style: Class 'Hatom' has a constructor with 1 argument that is not explicit. [noExplicitConstructor] molds-0.3.1/src/base/atoms/Liatom.h:24:4: style: Class 'Liatom' has a constructor with 1 argument that is not explicit. [noExplicitConstructor] molds-0.3.1/src/base/atoms/Catom.h:24:4: style: Class 'Catom' has a constructor with 1 argument that is not explicit. [noExplicitConstructor] molds-0.3.1/src/base/atoms/Natom.h:24:4: style: Class 'Natom' has a constructor with 1 argument that is not explicit. [noExplicitConstructor] molds-0.3.1/src/base/atoms/Oatom.h:24:4: style: Class 'Oatom' has a constructor with 1 argument that is not explicit. [noExplicitConstructor] molds-0.3.1/src/base/atoms/Satom.h:24:4: style: Class 'Satom' has a constructor with 1 argument that is not explicit. [noExplicitConstructor] molds-0.3.1/src/base/Parameters.h:219:5: style: The destructor '~Parameters' overrides a destructor in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/PrintController.h:27:13: note: Virtual destructor in base class molds-0.3.1/src/base/Parameters.h:219:5: note: Destructor in derived class molds-0.3.1/src/base/atoms/Hatom.h:28:9: style: The function 'SetAtomicParameters' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/atoms/Atom.h:309:17: note: Virtual function in base class molds-0.3.1/src/base/atoms/Hatom.h:28:9: note: Function in derived class molds-0.3.1/src/base/atoms/Liatom.h:27:9: style: The function 'SetAtomicParameters' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/atoms/Atom.h:309:17: note: Virtual function in base class molds-0.3.1/src/base/atoms/Liatom.h:27:9: note: Function in derived class molds-0.3.1/src/base/atoms/Catom.h:27:9: style: The function 'SetAtomicParameters' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/atoms/Atom.h:309:17: note: Virtual function in base class molds-0.3.1/src/base/atoms/Catom.h:27:9: note: Function in derived class molds-0.3.1/src/base/atoms/Natom.h:27:9: style: The function 'SetAtomicParameters' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/atoms/Atom.h:309:17: note: Virtual function in base class molds-0.3.1/src/base/atoms/Natom.h:27:9: note: Function in derived class molds-0.3.1/src/base/atoms/Oatom.h:27:9: style: The function 'SetAtomicParameters' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/atoms/Atom.h:309:17: note: Virtual function in base class molds-0.3.1/src/base/atoms/Oatom.h:27:9: note: Function in derived class molds-0.3.1/src/base/atoms/Satom.h:27:9: style: The function 'SetAtomicParameters' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/atoms/Atom.h:309:17: note: Virtual function in base class molds-0.3.1/src/base/atoms/Satom.h:27:9: note: Function in derived class molds-0.3.1/src/base/ElectronicStructure.h:25:13: style: The destructor '~ElectronicStructure' overrides a destructor in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/PrintController.h:27:13: note: Virtual destructor in base class molds-0.3.1/src/base/ElectronicStructure.h:25:13: note: Destructor in derived class molds-0.3.1/src/cndo/Cndo2.h:30:13: style: The destructor '~Cndo2' overrides a destructor in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/ElectronicStructure.h:25:13: note: Virtual destructor in base class molds-0.3.1/src/cndo/Cndo2.h:30:13: note: Destructor in derived class molds-0.3.1/src/cndo/Cndo2.h:31:17: style: The function 'SetMolecule' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/ElectronicStructure.h:27:17: note: Virtual function in base class molds-0.3.1/src/cndo/Cndo2.h:31:17: note: Function in derived class molds-0.3.1/src/cndo/Cndo2.h:32:9: style: The function 'DoSCF' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/ElectronicStructure.h:28:17: note: Virtual function in base class molds-0.3.1/src/cndo/Cndo2.h:32:9: note: Function in derived class molds-0.3.1/src/cndo/Cndo2.h:33:17: style: The function 'OutputSCFResults' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/ElectronicStructure.h:29:17: note: Virtual function in base class molds-0.3.1/src/cndo/Cndo2.h:33:17: note: Function in derived class molds-0.3.1/src/cndo/Cndo2.h:34:25: style: The function 'GetFockMatrix' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/ElectronicStructure.h:30:33: note: Virtual function in base class molds-0.3.1/src/cndo/Cndo2.h:34:25: note: Function in derived class molds-0.3.1/src/cndo/Cndo2.h:35:25: style: The function 'GetEnergiesMO' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/ElectronicStructure.h:31:33: note: Virtual function in base class molds-0.3.1/src/cndo/Cndo2.h:35:25: note: Function in derived class molds-0.3.1/src/cndo/Cndo2.h:36:17: style: The function 'DoCIS' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/ElectronicStructure.h:32:17: note: Virtual function in base class molds-0.3.1/src/cndo/Cndo2.h:36:17: note: Function in derived class molds-0.3.1/src/cndo/Cndo2.h:37:17: style: The function 'OutputCISResults' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/ElectronicStructure.h:33:17: note: Virtual function in base class molds-0.3.1/src/cndo/Cndo2.h:37:17: note: Function in derived class molds-0.3.1/src/cndo/Cndo2.h:38:25: style: The function 'GetMatrixCIS' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/ElectronicStructure.h:34:33: note: Virtual function in base class molds-0.3.1/src/cndo/Cndo2.h:38:25: note: Function in derived class molds-0.3.1/src/cndo/Cndo2.h:39:25: style: The function 'GetExcitedEnergies' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/ElectronicStructure.h:35:33: note: Virtual function in base class molds-0.3.1/src/cndo/Cndo2.h:39:25: note: Function in derived class molds-0.3.1/src/cndo/Cndo2.h:40:32: style: The function 'GetForce' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/ElectronicStructure.h:36:40: note: Virtual function in base class molds-0.3.1/src/cndo/Cndo2.h:40:32: note: Function in derived class molds-0.3.1/src/cndo/Cndo2.h:41:32: style: The function 'GetForce' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/ElectronicStructure.h:37:40: note: Virtual function in base class molds-0.3.1/src/cndo/Cndo2.h:41:32: note: Function in derived class molds-0.3.1/src/cndo/Cndo2.h:42:11: style: The function 'GetElectronicEnergy' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/ElectronicStructure.h:38:19: note: Virtual function in base class molds-0.3.1/src/cndo/Cndo2.h:42:11: note: Function in derived class molds-0.3.1/src/cndo/Cndo2.h:43:11: style: The function 'GetCoreRepulsionEnergy' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/ElectronicStructure.h:39:19: note: Virtual function in base class molds-0.3.1/src/cndo/Cndo2.h:43:11: note: Function in derived class molds-0.3.1/src/cndo/Cndo2.h:44:11: style: The function 'GetVdWCorrectionEnergy' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/ElectronicStructure.h:40:19: note: Virtual function in base class molds-0.3.1/src/cndo/Cndo2.h:44:11: note: Function in derived class molds-0.3.1/src/cndo/Cndo2.h:45:9: style: The function 'CalcOverlapAOsWithAnotherConfiguration' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/ElectronicStructure.h:41:17: note: Virtual function in base class molds-0.3.1/src/cndo/Cndo2.h:45:9: note: Function in derived class molds-0.3.1/src/cndo/Cndo2.h:47:9: style: The function 'CalcOverlapMOsWithAnotherElectronicStructure' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/ElectronicStructure.h:43:17: note: Virtual function in base class molds-0.3.1/src/cndo/Cndo2.h:47:9: note: Function in derived class molds-0.3.1/src/cndo/Cndo2.h:50:17: style: The function 'CalcOverlapSingletSDsWithAnotherElectronicStructure' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/ElectronicStructure.h:46:17: note: Virtual function in base class molds-0.3.1/src/cndo/Cndo2.h:50:17: note: Function in derived class molds-0.3.1/src/cndo/Cndo2.h:52:17: style: The function 'CalcOverlapESsWithAnotherElectronicStructure' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/ElectronicStructure.h:48:17: note: Virtual function in base class molds-0.3.1/src/cndo/Cndo2.h:52:17: note: Function in derived class molds-0.3.1/src/cndo/Cndo2.h:55:27: style: The function 'GetTheoryType' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/ElectronicStructure.h:26:35: note: Virtual function in base class molds-0.3.1/src/cndo/Cndo2.h:55:27: note: Function in derived class molds-0.3.1/src/zindo/ZindoS.h:30:13: style: The destructor '~ZindoS' overrides a destructor in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/cndo/Cndo2.h:30:13: note: Virtual destructor in base class molds-0.3.1/src/zindo/ZindoS.h:30:13: note: Destructor in derived class molds-0.3.1/src/zindo/ZindoS.h:31:17: style: The function 'SetMolecule' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/cndo/Cndo2.h:31:17: note: Virtual function in base class molds-0.3.1/src/zindo/ZindoS.h:31:17: note: Function in derived class molds-0.3.1/src/zindo/ZindoS.h:32:9: style: The function 'DoCIS' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/cndo/Cndo2.h:36:17: note: Virtual function in base class molds-0.3.1/src/zindo/ZindoS.h:32:9: note: Function in derived class molds-0.3.1/src/zindo/ZindoS.h:33:9: style: The function 'OutputCISResults' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/cndo/Cndo2.h:37:17: note: Virtual function in base class molds-0.3.1/src/zindo/ZindoS.h:33:9: note: Function in derived class molds-0.3.1/src/zindo/ZindoS.h:34:9: style: The function 'CalcOverlapSingletSDsWithAnotherElectronicStructure' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/cndo/Cndo2.h:50:17: note: Virtual function in base class molds-0.3.1/src/zindo/ZindoS.h:34:9: note: Function in derived class molds-0.3.1/src/zindo/ZindoS.h:36:9: style: The function 'CalcOverlapESsWithAnotherElectronicStructure' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/cndo/Cndo2.h:52:17: note: Virtual function in base class molds-0.3.1/src/zindo/ZindoS.h:36:9: note: Function in derived class molds-0.3.1/src/zindo/ZindoS.h:53:17: style: The function 'SetMessages' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/cndo/Cndo2.h:119:17: note: Virtual function in base class molds-0.3.1/src/zindo/ZindoS.h:53:17: note: Function in derived class molds-0.3.1/src/zindo/ZindoS.h:54:17: style: The function 'SetEnableAtomTypes' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/cndo/Cndo2.h:120:17: note: Virtual function in base class molds-0.3.1/src/zindo/ZindoS.h:54:17: note: Function in derived class molds-0.3.1/src/zindo/ZindoS.h:55:17: style: The function 'CalcCISProperties' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/cndo/Cndo2.h:122:17: note: Virtual function in base class molds-0.3.1/src/zindo/ZindoS.h:55:17: note: Function in derived class molds-0.3.1/src/zindo/ZindoS.h:56:17: style: The function 'CalcElectronicTransitionDipoleMoment' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/cndo/Cndo2.h:124:17: note: Virtual function in base class molds-0.3.1/src/zindo/ZindoS.h:56:17: note: Function in derived class molds-0.3.1/src/zindo/ZindoS.h:65:17: style: The function 'CalcGammaAB' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/cndo/Cndo2.h:168:17: note: Virtual function in base class molds-0.3.1/src/zindo/ZindoS.h:65:17: note: Function in derived class molds-0.3.1/src/zindo/ZindoS.h:66:19: style: The function 'GetFockDiagElement' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/cndo/Cndo2.h:169:19: note: Virtual function in base class molds-0.3.1/src/zindo/ZindoS.h:66:19: note: Function in derived class molds-0.3.1/src/zindo/ZindoS.h:75:19: style: The function 'GetFockOffDiagElement' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/cndo/Cndo2.h:178:19: note: Virtual function in base class molds-0.3.1/src/zindo/ZindoS.h:75:19: note: Function in derived class molds-0.3.1/src/zindo/ZindoS.h:86:17: style: The function 'CalcDiatomicOverlapAOsInDiatomicFrame' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/cndo/Cndo2.h:191:17: note: Virtual function in base class molds-0.3.1/src/zindo/ZindoS.h:86:17: note: Function in derived class molds-0.3.1/src/zindo/ZindoS.h:89:17: style: The function 'CalcDiatomicOverlapAOs1stDerivativeInDiatomicFrame' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/cndo/Cndo2.h:194:17: note: Virtual function in base class molds-0.3.1/src/zindo/ZindoS.h:89:17: note: Function in derived class molds-0.3.1/src/zindo/ZindoS.h:92:17: style: The function 'CalcDiatomicOverlapAOs2ndDerivativeInDiatomicFrame' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/cndo/Cndo2.h:197:17: note: Virtual function in base class molds-0.3.1/src/zindo/ZindoS.h:92:17: note: Function in derived class molds-0.3.1/src/zindo/ZindoS.h:101:17: style: The function 'CalcTwoElecsTwoCores' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/cndo/Cndo2.h:256:17: note: Virtual function in base class molds-0.3.1/src/zindo/ZindoS.h:101:17: note: Function in derived class molds-0.3.1/src/zindo/ZindoS.h:104:19: style: The function 'GetMolecularIntegralElement' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/cndo/Cndo2.h:252:19: note: Virtual function in base class molds-0.3.1/src/zindo/ZindoS.h:104:19: note: Function in derived class molds-0.3.1/src/zindo/ZindoS.h:126:17: style: The function 'CalcForce' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/cndo/Cndo2.h:259:17: note: Virtual function in base class molds-0.3.1/src/zindo/ZindoS.h:126:17: note: Function in derived class molds-0.3.1/src/mndo/Mndo.h:29:13: style: The destructor '~Mndo' overrides a destructor in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/zindo/ZindoS.h:30:13: note: Virtual destructor in base class molds-0.3.1/src/mndo/Mndo.h:29:13: note: Destructor in derived class molds-0.3.1/src/mndo/Mndo.h:30:17: style: The function 'SetMolecule' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/zindo/ZindoS.h:31:17: note: Virtual function in base class molds-0.3.1/src/mndo/Mndo.h:30:17: note: Function in derived class molds-0.3.1/src/mndo/Mndo.h:31:17: style: The function 'OutputSCFResults' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/cndo/Cndo2.h:33:17: note: Virtual function in base class molds-0.3.1/src/mndo/Mndo.h:31:17: note: Function in derived class molds-0.3.1/src/mndo/Mndo.h:50:17: style: The function 'SetMessages' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/zindo/ZindoS.h:53:17: note: Virtual function in base class molds-0.3.1/src/mndo/Mndo.h:50:17: note: Function in derived class molds-0.3.1/src/mndo/Mndo.h:51:17: style: The function 'SetEnableAtomTypes' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/zindo/ZindoS.h:54:17: note: Virtual function in base class molds-0.3.1/src/mndo/Mndo.h:51:17: note: Function in derived class molds-0.3.1/src/mndo/Mndo.h:52:17: style: The function 'CalcSCFProperties' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/cndo/Cndo2.h:121:17: note: Virtual function in base class molds-0.3.1/src/mndo/Mndo.h:52:17: note: Function in derived class molds-0.3.1/src/mndo/Mndo.h:53:17: style: The function 'CalcNormalModes' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/cndo/Cndo2.h:123:17: note: Virtual function in base class molds-0.3.1/src/mndo/Mndo.h:53:17: note: Function in derived class molds-0.3.1/src/mndo/Mndo.h:54:17: style: The function 'CalcForce' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/zindo/ZindoS.h:126:17: note: Virtual function in base class molds-0.3.1/src/mndo/Mndo.h:54:17: note: Function in derived class molds-0.3.1/src/mndo/Mndo.h:55:19: style: The function 'GetDiatomCoreRepulsionEnergy' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/cndo/Cndo2.h:135:19: note: Virtual function in base class molds-0.3.1/src/mndo/Mndo.h:55:19: note: Function in derived class molds-0.3.1/src/mndo/Mndo.h:56:19: style: The function 'GetAtomCoreEpcCoulombEnergy' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/cndo/Cndo2.h:136:19: note: Virtual function in base class molds-0.3.1/src/mndo/Mndo.h:56:19: note: Function in derived class molds-0.3.1/src/mndo/Mndo.h:57:19: style: The function 'GetDiatomCoreRepulsion1stDerivative' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/cndo/Cndo2.h:137:19: note: Virtual function in base class molds-0.3.1/src/mndo/Mndo.h:57:19: note: Function in derived class molds-0.3.1/src/mndo/Mndo.h:60:19: style: The function 'GetDiatomCoreRepulsion2ndDerivative' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/cndo/Cndo2.h:140:19: note: Virtual function in base class molds-0.3.1/src/mndo/Mndo.h:60:19: note: Function in derived class molds-0.3.1/src/mndo/Mndo.h:64:19: style: The function 'GetFockDiagElement' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/zindo/ZindoS.h:66:19: note: Virtual function in base class molds-0.3.1/src/mndo/Mndo.h:64:19: note: Function in derived class molds-0.3.1/src/mndo/Mndo.h:73:19: style: The function 'GetFockOffDiagElement' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/zindo/ZindoS.h:75:19: note: Virtual function in base class molds-0.3.1/src/mndo/Mndo.h:73:19: note: Function in derived class molds-0.3.1/src/mndo/Mndo.h:84:17: style: The function 'CalcDiatomicOverlapAOsInDiatomicFrame' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/zindo/ZindoS.h:86:17: note: Virtual function in base class molds-0.3.1/src/mndo/Mndo.h:84:17: note: Function in derived class molds-0.3.1/src/mndo/Mndo.h:87:17: style: The function 'CalcDiatomicOverlapAOs1stDerivativeInDiatomicFrame' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/zindo/ZindoS.h:89:17: note: Virtual function in base class molds-0.3.1/src/mndo/Mndo.h:87:17: note: Function in derived class molds-0.3.1/src/mndo/Mndo.h:90:17: style: The function 'CalcDiatomicOverlapAOs2ndDerivativeInDiatomicFrame' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/zindo/ZindoS.h:92:17: note: Virtual function in base class molds-0.3.1/src/mndo/Mndo.h:90:17: note: Function in derived class molds-0.3.1/src/mndo/Mndo.h:93:19: style: The function 'GetCoulombInt' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/zindo/ZindoS.h:95:19: note: Virtual function in base class molds-0.3.1/src/mndo/Mndo.h:93:19: note: Function in derived class molds-0.3.1/src/mndo/Mndo.h:96:19: style: The function 'GetExchangeInt' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/zindo/ZindoS.h:98:19: note: Virtual function in base class molds-0.3.1/src/mndo/Mndo.h:96:19: note: Function in derived class molds-0.3.1/src/mndo/Mndo.h:99:17: style: The function 'CalcTwoElecsTwoCores' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/zindo/ZindoS.h:101:17: note: Virtual function in base class molds-0.3.1/src/mndo/Mndo.h:99:17: note: Function in derived class molds-0.3.1/src/mndo/Mndo.h:102:19: style: The function 'GetMolecularIntegralElement' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/zindo/ZindoS.h:104:19: note: Virtual function in base class molds-0.3.1/src/mndo/Mndo.h:102:19: note: Function in derived class molds-0.3.1/src/mndo/Mndo.h:109:17: style: The function 'CalcCISMatrix' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/zindo/ZindoS.h:111:17: note: Virtual function in base class molds-0.3.1/src/mndo/Mndo.h:109:17: note: Function in derived class molds-0.3.1/src/mndo/Mndo.h:110:19: style: The function 'GetSmallQElement' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/zindo/ZindoS.h:137:19: note: Virtual function in base class molds-0.3.1/src/mndo/Mndo.h:110:19: note: Function in derived class molds-0.3.1/src/mndo/Mndo.h:115:19: style: The function 'GetAuxiliaryKNRKRElement' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/zindo/ZindoS.h:148:19: note: Virtual function in base class molds-0.3.1/src/mndo/Mndo.h:115:19: note: Function in derived class molds-0.3.1/src/am1/Am1.h:29:13: style: The destructor '~Am1' overrides a destructor in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/mndo/Mndo.h:29:13: note: Virtual destructor in base class molds-0.3.1/src/am1/Am1.h:29:13: note: Destructor in derived class molds-0.3.1/src/am1/Am1.h:30:17: style: The function 'OutputSCFResults' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/mndo/Mndo.h:31:17: note: Virtual function in base class molds-0.3.1/src/am1/Am1.h:30:17: note: Function in derived class molds-0.3.1/src/am1/Am1.h:32:17: style: The function 'SetMessages' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/mndo/Mndo.h:50:17: note: Virtual function in base class molds-0.3.1/src/am1/Am1.h:32:17: note: Function in derived class molds-0.3.1/src/am1/Am1.h:33:17: style: The function 'SetEnableAtomTypes' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/mndo/Mndo.h:51:17: note: Virtual function in base class molds-0.3.1/src/am1/Am1.h:33:17: note: Function in derived class molds-0.3.1/src/am1/Am1.h:34:17: style: The function 'CalcSCFProperties' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/mndo/Mndo.h:52:17: note: Virtual function in base class molds-0.3.1/src/am1/Am1.h:34:17: note: Function in derived class molds-0.3.1/src/am1/Am1.h:35:19: style: The function 'GetDiatomCoreRepulsionEnergy' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/mndo/Mndo.h:55:19: note: Virtual function in base class molds-0.3.1/src/am1/Am1.h:35:19: note: Function in derived class molds-0.3.1/src/am1/Am1.h:36:19: style: The function 'GetDiatomCoreRepulsion1stDerivative' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/mndo/Mndo.h:57:19: note: Virtual function in base class molds-0.3.1/src/am1/Am1.h:36:19: note: Function in derived class molds-0.3.1/src/am1/Am1.h:39:19: style: The function 'GetDiatomCoreRepulsion2ndDerivative' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/mndo/Mndo.h:60:19: note: Virtual function in base class molds-0.3.1/src/am1/Am1.h:39:19: note: Function in derived class molds-0.3.1/src/am1/Am1D.h:29:13: style: The destructor '~Am1D' overrides a destructor in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/am1/Am1.h:29:13: note: Virtual destructor in base class molds-0.3.1/src/am1/Am1D.h:29:13: note: Destructor in derived class molds-0.3.1/src/am1/Am1D.h:31:17: style: The function 'SetMessages' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/am1/Am1.h:32:17: note: Virtual function in base class molds-0.3.1/src/am1/Am1D.h:31:17: note: Function in derived class molds-0.3.1/src/am1/Am1D.h:32:17: style: The function 'SetEnableAtomTypes' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/am1/Am1.h:33:17: note: Virtual function in base class molds-0.3.1/src/am1/Am1D.h:32:17: note: Function in derived class molds-0.3.1/src/am1/Am1.cpp:149:11: style: The scope of the variable 'kA' can be reduced. [variableScope] molds-0.3.1/src/am1/Am1.cpp:149:15: style: The scope of the variable 'lA' can be reduced. [variableScope] molds-0.3.1/src/am1/Am1.cpp:149:19: style: The scope of the variable 'mA' can be reduced. [variableScope] molds-0.3.1/src/am1/Am1.cpp:150:11: style: The scope of the variable 'kB' can be reduced. [variableScope] molds-0.3.1/src/am1/Am1.cpp:150:15: style: The scope of the variable 'lB' can be reduced. [variableScope] molds-0.3.1/src/am1/Am1.cpp:150:19: style: The scope of the variable 'mB' can be reduced. [variableScope] molds-0.3.1/src/am1/Am1.cpp:183:11: style: The scope of the variable 'kA' can be reduced. [variableScope] molds-0.3.1/src/am1/Am1.cpp:183:15: style: The scope of the variable 'lA' can be reduced. [variableScope] molds-0.3.1/src/am1/Am1.cpp:183:19: style: The scope of the variable 'mA' can be reduced. [variableScope] molds-0.3.1/src/am1/Am1.cpp:184:11: style: The scope of the variable 'kB' can be reduced. [variableScope] molds-0.3.1/src/am1/Am1.cpp:184:15: style: The scope of the variable 'lB' can be reduced. [variableScope] molds-0.3.1/src/am1/Am1.cpp:184:19: style: The scope of the variable 'mB' can be reduced. [variableScope] molds-0.3.1/src/am1/Am1.cpp:223:11: style: The scope of the variable 'kA' can be reduced. [variableScope] molds-0.3.1/src/am1/Am1.cpp:223:15: style: The scope of the variable 'lA' can be reduced. [variableScope] molds-0.3.1/src/am1/Am1.cpp:223:19: style: The scope of the variable 'mA' can be reduced. [variableScope] molds-0.3.1/src/am1/Am1.cpp:224:11: style: The scope of the variable 'kB' can be reduced. [variableScope] molds-0.3.1/src/am1/Am1.cpp:224:15: style: The scope of the variable 'lB' can be reduced. [variableScope] molds-0.3.1/src/am1/Am1.cpp:224:19: style: The scope of the variable 'mB' can be reduced. [variableScope] molds-0.3.1/src/base/Parameters.h:74:61: performance: Function parameter 'prefix' should be passed by const reference. [passedByValue] molds-0.3.1/src/base/Parameters.h:84:63: performance: Function parameter 'prefix' should be passed by const reference. [passedByValue] molds-0.3.1/src/base/Parameters.h:96:70: performance: Function parameter 'prefix' should be passed by const reference. [passedByValue] molds-0.3.1/src/base/MallocerFreer.cpp:106:43: warning: Identical inner 'if' condition is always true. [identicalInnerCondition] molds-0.3.1/src/base/MallocerFreer.cpp:103:37: note: outer condition: MallocerFreer::maxMallocedepcVect->size()' is less than zero. [unsignedLessThanZero] molds-0.3.1/src/base/Molecule.cpp:330:12: style: Local variable 'totalCoreMass' shadows outer variable [shadowVariable] molds-0.3.1/src/base/Molecule.h:96:11: note: Shadowed declaration molds-0.3.1/src/base/Molecule.cpp:330:12: note: Shadow variable molds-0.3.1/src/base/Molecule.cpp:836:13: style: Variable 'atom' can be declared as reference to const [constVariableReference] molds-0.3.1/src/base/Molecule.cpp:847:13: style: Variable 'atom' can be declared as reference to const [constVariableReference] molds-0.3.1/src/base/Molecule.cpp:857:13: style: Variable 'atom' can be declared as reference to const [constVariableReference] molds-0.3.1/src/base/Molecule.cpp:873:16: style: Variable 'atom' can be declared as reference to const [constVariableReference] molds-0.3.1/src/base/Molecule.cpp:880:16: style: Variable 'atom' can be declared as reference to const [constVariableReference] molds-0.3.1/src/base/Molecule.cpp:899:16: style: Variable 'atom' can be declared as reference to const [constVariableReference] molds-0.3.1/src/base/Molecule.cpp:906:16: style: Variable 'atom' can be declared as reference to const [constVariableReference] molds-0.3.1/src/base/Molecule.cpp:925:16: style: Variable 'atom' can be declared as reference to const [constVariableReference] molds-0.3.1/src/base/Molecule.cpp:934:16: style: Variable 'atom' can be declared as reference to const [constVariableReference] molds-0.3.1/src/base/Molecule.cpp:99:16: style: Variable 'atom' can be declared as pointer to const [constVariablePointer] molds-0.3.1/src/base/Molecule.cpp:120:16: style: Variable 'epc' can be declared as pointer to const [constVariablePointer] molds-0.3.1/src/base/Molecule.cpp:305:12: style: Variable 'atomicXyz' can be declared as pointer to const [constVariablePointer] molds-0.3.1/src/base/Molecule.cpp:331:12: style: Variable 'atomicXyz' can be declared as pointer to const [constVariablePointer] molds-0.3.1/src/base/Molecule.cpp:566:50: style: Parameter 'inertiaTensorOrigin' can be declared as pointer to const [constParameterPointer] molds-0.3.1/src/base/Utilities.cpp:70:12: portability: Non reentrant function 'localtime' called. For threadsafe applications it is recommended to use the reentrant replacement function 'localtime_r'. [prohibitedlocaltimeCalled] molds-0.3.1/src/base/Utilities.cpp:85:43: performance: Function parameter 'str' should be passed by const reference. [passedByValue] molds-0.3.1/src/base/Utilities.cpp:67:15: style: Variable 'local' can be declared as pointer to const [constVariablePointer] molds-0.3.1/src/base/Utilities.cpp:68:10: style: Variable 'wday_name' can be declared as const array [constVariable] molds-0.3.1/src/base/Molecule.cpp:188:15: style: Variable 'atomNum' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/base/Molecule.cpp:189:15: style: Variable 'epcNum' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/base/Molecule.cpp:306:23: style: Variable 'atomicMass' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/base/Molecule.cpp:332:21: style: Variable 'coreMass' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/base/atoms/Atom.cpp:184:74: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/atoms/Atom.cpp:251:77: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/atoms/Atom.cpp:497:74: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/atoms/Atom.cpp:529:74: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/atoms/Atom.cpp:562:74: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/atoms/Atom.cpp:582:74: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/atoms/Atom.cpp:602:74: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/atoms/Atom.cpp:622:74: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/atoms/Atom.cpp:642:74: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/atoms/Atom.cpp:662:74: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/atoms/Atom.cpp:682:74: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/atoms/Atom.cpp:741:82: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/atoms/Atom.cpp:790:82: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/atoms/Atom.cpp:838:51: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/atoms/Atom.cpp:864:51: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/atoms/Atom.cpp:890:51: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/atoms/Atom.cpp:902:53: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/atoms/Atom.cpp:914:53: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/atoms/Atom.cpp:1108:74: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/factories/AtomFactory.cpp:75:55: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/factories/AtomFactory.cpp:91:69: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/atoms/mm/EnvironmentalPointCharge.h:24:4: style: Class 'EnvironmentalPointCharge' has a constructor with 1 argument that is not explicit. [noExplicitConstructor] molds-0.3.1/src/base/atoms/mm/EnvironmentalPointCharge.h:27:9: style: The function 'SetAtomicParameters' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/atoms/Atom.h:309:17: note: Virtual function in base class molds-0.3.1/src/base/atoms/mm/EnvironmentalPointCharge.h:27:9: note: Function in derived class molds-0.3.1/src/base/factories/ElectronicStructureFactory.cpp:89:72: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/factories/OptimizerFactory.cpp:70:74: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/loggers/DensityLogger.cpp:148:32: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/indo/Indo.h:29:13: style: The destructor '~Indo' overrides a destructor in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/cndo/Cndo2.h:30:13: note: Virtual destructor in base class molds-0.3.1/src/indo/Indo.h:29:13: note: Destructor in derived class molds-0.3.1/src/indo/Indo.h:31:17: style: The function 'SetMessages' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/cndo/Cndo2.h:119:17: note: Virtual function in base class molds-0.3.1/src/indo/Indo.h:31:17: note: Function in derived class molds-0.3.1/src/indo/Indo.h:32:17: style: The function 'SetEnableAtomTypes' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/cndo/Cndo2.h:120:17: note: Virtual function in base class molds-0.3.1/src/indo/Indo.h:32:17: note: Function in derived class molds-0.3.1/src/indo/Indo.h:33:19: style: The function 'GetFockDiagElement' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/cndo/Cndo2.h:169:19: note: Virtual function in base class molds-0.3.1/src/indo/Indo.h:33:19: note: Function in derived class molds-0.3.1/src/indo/Indo.h:42:19: style: The function 'GetFockOffDiagElement' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/cndo/Cndo2.h:178:19: note: Virtual function in base class molds-0.3.1/src/indo/Indo.h:42:19: note: Function in derived class molds-0.3.1/src/indo/Indo.h:54:19: style: The function 'GetMolecularIntegralElement' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/cndo/Cndo2.h:252:19: note: Virtual function in base class molds-0.3.1/src/indo/Indo.h:54:19: note: Function in derived class molds-0.3.1/src/pm3/Pm3.h:29:13: style: The destructor '~Pm3' overrides a destructor in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/am1/Am1.h:29:13: note: Virtual destructor in base class molds-0.3.1/src/pm3/Pm3.h:29:13: note: Destructor in derived class molds-0.3.1/src/pm3/Pm3.h:31:17: style: The function 'SetMessages' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/am1/Am1.h:32:17: note: Virtual function in base class molds-0.3.1/src/pm3/Pm3.h:31:17: note: Function in derived class molds-0.3.1/src/pm3/Pm3.h:32:17: style: The function 'SetEnableAtomTypes' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/am1/Am1.h:33:17: note: Virtual function in base class molds-0.3.1/src/pm3/Pm3.h:32:17: note: Function in derived class molds-0.3.1/src/pm3/Pm3D.h:29:13: style: The destructor '~Pm3D' overrides a destructor in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/pm3/Pm3.h:29:13: note: Virtual destructor in base class molds-0.3.1/src/pm3/Pm3D.h:29:13: note: Destructor in derived class molds-0.3.1/src/pm3/Pm3D.h:31:17: style: The function 'SetMessages' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/pm3/Pm3.h:31:17: note: Virtual function in base class molds-0.3.1/src/pm3/Pm3D.h:31:17: note: Function in derived class molds-0.3.1/src/pm3/Pm3D.h:32:17: style: The function 'SetEnableAtomTypes' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/pm3/Pm3.h:32:17: note: Virtual function in base class molds-0.3.1/src/pm3/Pm3D.h:32:17: note: Function in derived class molds-0.3.1/src/pm3/Pm3Pddg.h:29:13: style: The destructor '~Pm3Pddg' overrides a destructor in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/pm3/Pm3.h:29:13: note: Virtual destructor in base class molds-0.3.1/src/pm3/Pm3Pddg.h:29:13: note: Destructor in derived class molds-0.3.1/src/pm3/Pm3Pddg.h:31:17: style: The function 'SetMessages' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/pm3/Pm3.h:31:17: note: Virtual function in base class molds-0.3.1/src/pm3/Pm3Pddg.h:31:17: note: Function in derived class molds-0.3.1/src/pm3/Pm3Pddg.h:32:17: style: The function 'SetEnableAtomTypes' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/pm3/Pm3.h:32:17: note: Virtual function in base class molds-0.3.1/src/pm3/Pm3Pddg.h:32:17: note: Function in derived class molds-0.3.1/src/pm3/Pm3Pddg.h:33:19: style: The function 'GetDiatomCoreRepulsionEnergy' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/am1/Am1.h:35:19: note: Virtual function in base class molds-0.3.1/src/pm3/Pm3Pddg.h:33:19: note: Function in derived class molds-0.3.1/src/pm3/Pm3Pddg.h:34:19: style: The function 'GetDiatomCoreRepulsion1stDerivative' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/am1/Am1.h:36:19: note: Virtual function in base class molds-0.3.1/src/pm3/Pm3Pddg.h:34:19: note: Function in derived class molds-0.3.1/src/pm3/Pm3Pddg.h:37:19: style: The function 'GetDiatomCoreRepulsion2ndDerivative' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/am1/Am1.h:39:19: note: Virtual function in base class molds-0.3.1/src/pm3/Pm3Pddg.h:37:19: note: Function in derived class molds-0.3.1/src/optimization/ConjugateGradient.h:27:5: style: The destructor '~ConjugateGradient' overrides a destructor in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/optimization/Optimizer.h:27:13: note: Virtual destructor in base class molds-0.3.1/src/optimization/ConjugateGradient.h:27:5: note: Destructor in derived class molds-0.3.1/src/optimization/ConjugateGradient.h:29:9: style: The function 'SetMessages' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/optimization/Optimizer.h:33:17: note: Virtual function in base class molds-0.3.1/src/optimization/ConjugateGradient.h:29:9: note: Function in derived class molds-0.3.1/src/optimization/ConjugateGradient.h:32:9: style: The function 'SearchMinimum' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/optimization/Optimizer.h:71:17: note: Virtual function in base class molds-0.3.1/src/optimization/ConjugateGradient.h:32:9: note: Function in derived class molds-0.3.1/src/optimization/BFGS.h:27:5: style: The destructor '~BFGS' overrides a destructor in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/optimization/Optimizer.h:27:13: note: Virtual destructor in base class molds-0.3.1/src/optimization/BFGS.h:27:5: note: Destructor in derived class molds-0.3.1/src/optimization/BFGS.h:29:9: style: The function 'SetMessages' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/optimization/Optimizer.h:33:17: note: Virtual function in base class molds-0.3.1/src/optimization/BFGS.h:29:9: note: Function in derived class molds-0.3.1/src/optimization/BFGS.h:48:17: style: The function 'SearchMinimum' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/optimization/Optimizer.h:71:17: note: Virtual function in base class molds-0.3.1/src/optimization/BFGS.h:48:17: note: Function in derived class molds-0.3.1/src/optimization/GEDIIS.h:30:5: style: The destructor '~GEDIIS' overrides a destructor in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/optimization/BFGS.h:27:5: note: Virtual destructor in base class molds-0.3.1/src/optimization/GEDIIS.h:30:5: note: Destructor in derived class molds-0.3.1/src/optimization/GEDIIS.h:32:9: style: The function 'SetMessages' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/optimization/BFGS.h:29:9: note: Virtual function in base class molds-0.3.1/src/optimization/GEDIIS.h:32:9: note: Function in derived class molds-0.3.1/src/optimization/GEDIIS.h:75:17: style: The function 'SearchMinimum' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/optimization/BFGS.h:48:17: note: Virtual function in base class molds-0.3.1/src/optimization/GEDIIS.h:75:17: note: Function in derived class molds-0.3.1/src/optimization/SteepestDescent.h:27:5: style: The destructor '~SteepestDescent' overrides a destructor in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/optimization/Optimizer.h:27:13: note: Virtual destructor in base class molds-0.3.1/src/optimization/SteepestDescent.h:27:5: note: Destructor in derived class molds-0.3.1/src/optimization/SteepestDescent.h:29:9: style: The function 'SetMessages' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/optimization/Optimizer.h:33:17: note: Virtual function in base class molds-0.3.1/src/optimization/SteepestDescent.h:29:9: note: Function in derived class molds-0.3.1/src/optimization/SteepestDescent.h:32:9: style: The function 'SearchMinimum' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/optimization/Optimizer.h:71:17: note: Virtual function in base class molds-0.3.1/src/optimization/SteepestDescent.h:32:9: note: Function in derived class molds-0.3.1/src/base/loggers/DensityLogger.cpp:63:16: warning:inconclusive: Member variable 'DensityLogger::molecule' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/loggers/DensityLogger.cpp:63:16: warning:inconclusive: Member variable 'DensityLogger::fockMatrix' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/loggers/DensityLogger.cpp:63:16: warning:inconclusive: Member variable 'DensityLogger::cisMatrix' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/loggers/DensityLogger.cpp:63:16: warning:inconclusive: Member variable 'DensityLogger::theory' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/loggers/DensityLogger.h:29:13: style: The destructor '~DensityLogger' overrides a destructor in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/PrintController.h:27:13: note: Virtual destructor in base class molds-0.3.1/src/base/loggers/DensityLogger.h:29:13: note: Destructor in derived class molds-0.3.1/src/base/loggers/DensityLogger.cpp:168:7: style: Throwing a copy of the caught exception instead of rethrowing the original exception. [exceptRethrowCopy] molds-0.3.1/src/base/loggers/DensityLogger.cpp:156:10: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/base/loggers/DensityLogger.cpp:166:4: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/base/loggers/DensityLogger.cpp:257:55: style:inconclusive: Function 'GetMOValue' argument 3 names different: declaration 'fockmatrix' definition 'forckMatrix'. [funcArgNamesDifferent] molds-0.3.1/src/base/loggers/DensityLogger.h:44:43: note: Function 'GetMOValue' argument 3 names different: declaration 'fockmatrix' definition 'forckMatrix'. molds-0.3.1/src/base/loggers/DensityLogger.cpp:257:55: note: Function 'GetMOValue' argument 3 names different: declaration 'fockmatrix' definition 'forckMatrix'. molds-0.3.1/src/base/loggers/DensityLogger.cpp:261:13: style: Variable 'atomA' can be declared as pointer to const [constVariablePointer] molds-0.3.1/src/base/loggers/DensityLogger.cpp:277:8: style: Variable 'gridNumber' can be declared as const array [constVariable] molds-0.3.1/src/base/loggers/MOLogger.cpp:127:29: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/base/loggers/DensityLogger.cpp:134:23: style: Variable 'x' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/base/loggers/DensityLogger.cpp:136:26: style: Variable 'y' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/base/loggers/DensityLogger.cpp:138:29: style: Variable 'z' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/base/loggers/HoleDensityLogger.cpp:68:25: warning: The class 'HoleDensityLogger' defines member function with name 'SetMessages' also defined in its parent class 'DensityLogger'. [duplInheritedMember] molds-0.3.1/src/base/loggers/DensityLogger.h:41:9: note: Parent function 'DensityLogger::SetMessages' molds-0.3.1/src/base/loggers/HoleDensityLogger.cpp:68:25: note: Derived function 'HoleDensityLogger::SetMessages' molds-0.3.1/src/base/loggers/HoleDensityLogger.h:29:5: style: The destructor '~HoleDensityLogger' overrides a destructor in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/loggers/DensityLogger.h:29:13: note: Virtual destructor in base class molds-0.3.1/src/base/loggers/HoleDensityLogger.h:29:5: note: Destructor in derived class molds-0.3.1/src/base/loggers/HoleDensityLogger.h:32:11: style: The function 'GetDensityValue' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/loggers/DensityLogger.h:49:19: note: Virtual function in base class molds-0.3.1/src/base/loggers/HoleDensityLogger.h:32:11: note: Function in derived class molds-0.3.1/src/base/loggers/HoleDensityLogger.h:39:16: style: The function 'GetFileName' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/loggers/DensityLogger.h:48:24: note: Virtual function in base class molds-0.3.1/src/base/loggers/HoleDensityLogger.h:39:16: note: Function in derived class molds-0.3.1/src/base/loggers/HoleDensityLogger.h:40:18: style: The function 'GetFrameLength' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/loggers/DensityLogger.h:56:26: note: Virtual function in base class molds-0.3.1/src/base/loggers/HoleDensityLogger.h:40:18: note: Function in derived class molds-0.3.1/src/base/loggers/HoleDensityLogger.h:41:18: style: The function 'GetGridNumber' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/loggers/DensityLogger.h:57:23: note: Virtual function in base class molds-0.3.1/src/base/loggers/HoleDensityLogger.h:41:18: note: Function in derived class molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::atomType' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::atomicMass' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::valenceShellType' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::firstAOIndex' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::numberValenceElectrons' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::vdWCoefficient' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::vdWRadii' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::imuAmuS' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::imuAmuP' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::imuAmuD' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::bondingParameter' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::coreCharge' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::effectiveNuclearChargeK' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::effectiveNuclearChargeL' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::effectiveNuclearChargeMsp' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::effectiveNuclearChargeMd' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::indoF2' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::indoG1' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::indoF0CoefficientS' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::indoF0CoefficientP' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::indoG1CoefficientS' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::indoG1CoefficientP' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::indoF2CoefficientS' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::indoF2CoefficientP' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::zindoBondingParameterS' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::zindoBondingParameterD' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::zindoF0ss' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::zindoF0sd' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::zindoF0dd' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::zindoG1sp' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::zindoF2pp' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::zindoG2sd' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::zindoG1pd' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::zindoF2pd' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::zindoG3pd' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::zindoF2dd' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::zindoF4dd' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::zindoL' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::zindoM' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::zindoN' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::zindoIonPotS' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::zindoIonPotP' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::zindoIonPotD' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::mndoCoreintegralS' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::mndoCoreintegralP' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::mndoOrbitalExponentS' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::mndoOrbitalExponentP' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::mndoBondingParameterS' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::mndoBondingParameterP' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::mndoAlpha' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::mndoDerivedParameterD' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::mndoDerivedParameterRho' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::mndoElecEnergyAtom' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::mndoHeatsFormAtom' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::mndoGss' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::mndoGpp' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::mndoGsp' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::mndoGpp2' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::mndoHsp' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::am1CoreintegralS' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::am1CoreintegralP' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::am1OrbitalExponentS' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::am1OrbitalExponentP' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::am1BondingParameterS' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::am1BondingParameterP' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::am1Alpha' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::am1Gss' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::am1Gpp' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::am1Gsp' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::am1Gpp2' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::am1Hsp' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::am1DerivedParameterD' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::am1DerivedParameterRho' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::am1ParameterK' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::am1ParameterL' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::am1ParameterM' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::am1DCoreintegralS' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::am1DCoreintegralP' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::am1DBondingParameterS' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::am1DBondingParameterP' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::am1DAlpha' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3CoreintegralS' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3CoreintegralP' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3OrbitalExponentS' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3OrbitalExponentP' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3BondingParameterS' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3BondingParameterP' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3Alpha' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3DerivedParameterD' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3DerivedParameterRho' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3ParameterK' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3ParameterL' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3ParameterM' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3Gss' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3Gpp' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3Gsp' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3Gpp2' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3Hsp' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3PddgCoreintegralS' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3PddgCoreintegralP' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3PddgOrbitalExponentS' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3PddgOrbitalExponentP' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3PddgBondingParameterS' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3PddgBondingParameterP' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3PddgAlpha' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3PddgDerivedParameterD' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3PddgDerivedParameterRho' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3PddgParameterK' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3PddgParameterL' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3PddgParameterM' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3PddgParameterPa' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3PddgParameterDa' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3DCoreintegralS' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3DCoreintegralP' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3DBondingParameterS' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3DBondingParameterP' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.cpp:45:7: warning: Member variable 'Atom::pm3DAlpha' is not initialized in the constructor. [uninitMemberVar] molds-0.3.1/src/base/atoms/Atom.h:290:11: performance:inconclusive: Technically the member function 'MolDS_base_atoms::Atom::GetRadialPartAO' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/base/atoms/Atom.cpp:205:14: note: Technically the member function 'MolDS_base_atoms::Atom::GetRadialPartAO' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/base/atoms/Atom.h:290:11: note: Technically the member function 'MolDS_base_atoms::Atom::GetRadialPartAO' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/base/atoms/Atom.cpp:53:4: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/base/loggers/MOLogger.cpp:60:11: warning:inconclusive: Member variable 'MOLogger::molecule' is not initialized in the constructor. [uninitMemberVarPrivate] molds-0.3.1/src/base/loggers/MOLogger.cpp:60:11: warning:inconclusive: Member variable 'MOLogger::fockMatrix' is not initialized in the constructor. [uninitMemberVarPrivate] molds-0.3.1/src/base/loggers/MOLogger.cpp:60:11: warning:inconclusive: Member variable 'MOLogger::theory' is not initialized in the constructor. [uninitMemberVarPrivate] molds-0.3.1/src/base/loggers/MOLogger.h:44:9: performance:inconclusive: Technically the member function 'MolDS_base_loggers::MOLogger::CalcGridDisplacement' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/base/loggers/MOLogger.cpp:215:16: note: Technically the member function 'MolDS_base_loggers::MOLogger::CalcGridDisplacement' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/base/loggers/MOLogger.h:44:9: note: Technically the member function 'MolDS_base_loggers::MOLogger::CalcGridDisplacement' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/base/loggers/MOLogger.cpp:135:7: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/base/loggers/ParticleDensityLogger.cpp:68:29: warning: The class 'ParticleDensityLogger' defines member function with name 'SetMessages' also defined in its parent class 'DensityLogger'. [duplInheritedMember] molds-0.3.1/src/base/loggers/DensityLogger.h:41:9: note: Parent function 'DensityLogger::SetMessages' molds-0.3.1/src/base/loggers/ParticleDensityLogger.cpp:68:29: note: Derived function 'ParticleDensityLogger::SetMessages' molds-0.3.1/src/base/loggers/ParticleDensityLogger.h:29:5: style: The destructor '~ParticleDensityLogger' overrides a destructor in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/loggers/DensityLogger.h:29:13: note: Virtual destructor in base class molds-0.3.1/src/base/loggers/ParticleDensityLogger.h:29:5: note: Destructor in derived class molds-0.3.1/src/base/loggers/ParticleDensityLogger.h:32:11: style: The function 'GetDensityValue' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/loggers/DensityLogger.h:49:19: note: Virtual function in base class molds-0.3.1/src/base/loggers/ParticleDensityLogger.h:32:11: note: Function in derived class molds-0.3.1/src/base/loggers/ParticleDensityLogger.h:39:16: style: The function 'GetFileName' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/loggers/DensityLogger.h:48:24: note: Virtual function in base class molds-0.3.1/src/base/loggers/ParticleDensityLogger.h:39:16: note: Function in derived class molds-0.3.1/src/base/loggers/MOLogger.cpp:82:35: performance: Function parameter 'moIndeces' should be passed by const reference. [passedByValue] molds-0.3.1/src/base/loggers/ParticleDensityLogger.h:40:18: style: The function 'GetFrameLength' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/loggers/DensityLogger.h:56:26: note: Virtual function in base class molds-0.3.1/src/base/loggers/ParticleDensityLogger.h:40:18: note: Function in derived class molds-0.3.1/src/base/loggers/ParticleDensityLogger.h:41:18: style: The function 'GetGridNumber' overrides a function in a base class but is not marked with a 'override' specifier. [missingOverride] molds-0.3.1/src/base/loggers/DensityLogger.h:57:23: note: Virtual function in base class molds-0.3.1/src/base/loggers/ParticleDensityLogger.h:41:18: note: Function in derived class molds-0.3.1/src/base/loggers/MOLogger.cpp:161:8: style: Variable 'gridNumber' can be declared as const array [constVariable] molds-0.3.1/src/base/loggers/MOLogger.cpp:188:13: style: Variable 'atomA' can be declared as pointer to const [constVariablePointer] molds-0.3.1/src/base/loggers/MOLogger.cpp:232:13: style: Variable 'atomA' can be declared as pointer to const [constVariablePointer] molds-0.3.1/src/mc/MC.cpp:161:39: debug: Function::addArguments found argument 'realRand' with varid 0. [varid0] molds-0.3.1/src/mc/MC.cpp:195:24: debug: Function::addArguments found argument 'realRand' with varid 0. [varid0] molds-0.3.1/src/mc/MC.cpp:164:44: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable realRand [valueFlowBailoutIncompleteVar] molds-0.3.1/src/mc/MC.cpp:206:25: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable realRand [valueFlowBailoutIncompleteVar] molds-0.3.1/src/md/MD.cpp:253:74: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/mc/MC.h:58:9: performance:inconclusive: Technically the member function 'MolDS_mc::MC::UsesTrial' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/mc/MC.cpp:189:10: note: Technically the member function 'MolDS_mc::MC::UsesTrial' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/mc/MC.h:58:9: note: Technically the member function 'MolDS_mc::MC::UsesTrial' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/mc/MC.cpp:181:13: style: Local variable 'trialAtom' shadows outer variable [shadowVariable] molds-0.3.1/src/mc/MC.cpp:166:10: note: Shadowed declaration molds-0.3.1/src/mc/MC.cpp:181:13: note: Shadow variable molds-0.3.1/src/mc/MC.cpp:166:10: style: Variable 'trialAtom' can be declared as pointer to const [constVariablePointer] molds-0.3.1/src/mc/MC.cpp:181:13: style: Variable 'trialAtom' can be declared as pointer to const [constVariablePointer] molds-0.3.1/src/md/MD.h:52:9: style:inconclusive: Technically the member function 'MolDS_md::MD::CheckEnableTheoryType' can be const. [functionConst] molds-0.3.1/src/md/MD.cpp:241:10: note: Technically the member function 'MolDS_md::MD::CheckEnableTheoryType' can be const. molds-0.3.1/src/md/MD.h:52:9: note: Technically the member function 'MolDS_md::MD::CheckEnableTheoryType' can be const. molds-0.3.1/src/indo/Indo.cpp:297:23: style: Condition 'orbital1!=orbital2' is always true [knownConditionTrueFalse] molds-0.3.1/src/md/MD.cpp:142:13: style: Variable 'atom' can be declared as pointer to const [constVariablePointer] molds-0.3.1/src/md/MD.cpp:152:16: style: Variable 'atom' can be declared as pointer to const [constVariablePointer] molds-0.3.1/src/md/MD.cpp:187:13: style: Variable 'atom' can be declared as pointer to const [constVariablePointer] molds-0.3.1/src/indo/Indo.cpp:126:14: style: The scope of the variable 'coulomb' can be reduced. [variableScope] molds-0.3.1/src/indo/Indo.cpp:127:14: style: The scope of the variable 'exchange' can be reduced. [variableScope] molds-0.3.1/src/indo/Indo.cpp:128:11: style: The scope of the variable 'lammda' can be reduced. [variableScope] molds-0.3.1/src/indo/Indo.cpp:173:14: style: The scope of the variable 'coulomb' can be reduced. [variableScope] molds-0.3.1/src/indo/Indo.cpp:174:14: style: The scope of the variable 'exchange' can be reduced. [variableScope] molds-0.3.1/src/indo/Indo.cpp:199:8: style: The scope of the variable 'firstAOIndexA' can be reduced. [variableScope] molds-0.3.1/src/indo/Indo.cpp:200:8: style: The scope of the variable 'numberAOsA' can be reduced. [variableScope] molds-0.3.1/src/indo/Indo.cpp:161:57: style:inconclusive: Function 'GetFockOffDiagElement' argument 9 names different: declaration 'overelap' definition 'overlapAOs'. [funcArgNamesDifferent] molds-0.3.1/src/indo/Indo.h:50:62: note: Function 'GetFockOffDiagElement' argument 9 names different: declaration 'overelap' definition 'overlapAOs'. molds-0.3.1/src/indo/Indo.cpp:161:57: note: Function 'GetFockOffDiagElement' argument 9 names different: declaration 'overelap' definition 'overlapAOs'. molds-0.3.1/src/indo/Indo.cpp:211:19: style: Local variable 'atomA' shadows outer variable [shadowVariable] molds-0.3.1/src/indo/Indo.cpp:197:10: note: Shadowed declaration molds-0.3.1/src/indo/Indo.cpp:211:19: note: Shadow variable molds-0.3.1/src/md/MD.cpp:81:25: style: Variable 'time' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/indo/Indo.cpp:126:22: style: Variable 'coulomb' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/indo/Indo.cpp:127:23: style: Variable 'exchange' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/indo/Indo.cpp:128:18: style: Variable 'lammda' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/indo/Indo.cpp:173:22: style: Variable 'coulomb' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/indo/Indo.cpp:174:23: style: Variable 'exchange' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/indo/Indo.cpp:197:10: style: Unused variable: atomA [unusedVariable] molds-0.3.1/src/indo/Indo.cpp:198:10: style: Unused variable: atomB [unusedVariable] molds-0.3.1/src/mpi/AsyncCommunicator.h:62:10: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/mpi/AsyncCommunicator.h:32:11: style: Variable 'mpiRank' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/mpi/MpiProcess.cpp:43:13: warning:inconclusive: Member variable 'MpiProcess::environment' is not initialized in the constructor. [uninitMemberVarPrivate] molds-0.3.1/src/mpi/MpiProcess.cpp:43:13: warning:inconclusive: Member variable 'MpiProcess::communicator' is not initialized in the constructor. [uninitMemberVarPrivate] molds-0.3.1/src/mpi/MpiProcess.cpp:43:13: warning:inconclusive: Member variable 'MpiProcess::messageLimit' is not initialized in the constructor. [uninitMemberVarPrivate] molds-0.3.1/src/mpi/MpiProcess.cpp:43:13: warning:inconclusive: Member variable 'MpiProcess::mpiConsumingTime' is not initialized in the constructor. [uninitMemberVarPrivate] molds-0.3.1/src/mpi/MpiProcess.cpp:43:13: warning:inconclusive: Member variable 'MpiProcess::mpiConsumingTimeSend' is not initialized in the constructor. [uninitMemberVarPrivate] molds-0.3.1/src/mpi/MpiProcess.cpp:43:13: warning:inconclusive: Member variable 'MpiProcess::mpiConsumingTimeRecv' is not initialized in the constructor. [uninitMemberVarPrivate] molds-0.3.1/src/mpi/MpiProcess.cpp:43:13: warning:inconclusive: Member variable 'MpiProcess::mpiConsumingTimeBrodCast' is not initialized in the constructor. [uninitMemberVarPrivate] molds-0.3.1/src/mpi/MpiProcess.cpp:43:13: warning:inconclusive: Member variable 'MpiProcess::mpiConsumingTimeAllReduce' is not initialized in the constructor. [uninitMemberVarPrivate] molds-0.3.1/src/nasco/NASCO.cpp:209:37: debug: Function::addArguments found argument 'realRand' with varid 0. [varid0] molds-0.3.1/src/nasco/NASCO.cpp:217:66: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable realRand [valueFlowBailoutIncompleteVar] molds-0.3.1/src/nasco/NASCO.cpp:324:74: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/nasco/NASCO.h:52:9: style:inconclusive: Technically the member function 'MolDS_nasco::NASCO::CheckEnableTheoryType' can be const. [functionConst] molds-0.3.1/src/nasco/NASCO.cpp:312:13: note: Technically the member function 'MolDS_nasco::NASCO::CheckEnableTheoryType' can be const. molds-0.3.1/src/nasco/NASCO.h:52:9: note: Technically the member function 'MolDS_nasco::NASCO::CheckEnableTheoryType' can be const. molds-0.3.1/src/nasco/NASCO.h:55:9: performance:inconclusive: Technically the member function 'MolDS_nasco::NASCO::UpdateMomenta' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/nasco/NASCO.cpp:177:13: note: Technically the member function 'MolDS_nasco::NASCO::UpdateMomenta' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/nasco/NASCO.h:55:9: note: Technically the member function 'MolDS_nasco::NASCO::UpdateMomenta' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/nasco/NASCO.h:58:9: performance:inconclusive: Technically the member function 'MolDS_nasco::NASCO::UpdateCoordinates' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/nasco/NASCO.cpp:188:13: note: Technically the member function 'MolDS_nasco::NASCO::UpdateCoordinates' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/nasco/NASCO.h:58:9: note: Technically the member function 'MolDS_nasco::NASCO::UpdateCoordinates' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/nasco/NASCO.h:61:9: performance:inconclusive: Technically the member function 'MolDS_nasco::NASCO::DecideNextElecState' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/nasco/NASCO.cpp:202:13: note: Technically the member function 'MolDS_nasco::NASCO::DecideNextElecState' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/nasco/NASCO.h:61:9: note: Technically the member function 'MolDS_nasco::NASCO::DecideNextElecState' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/nasco/NASCO.cpp:171:7: style: Throwing a copy of the caught exception instead of rethrowing the original exception. [exceptRethrowCopy] molds-0.3.1/src/nasco/NASCO.cpp:169:4: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/nasco/NASCO.cpp:94:9: style: The scope of the variable 'requireGuess' can be reduced. [variableScope] molds-0.3.1/src/nasco/NASCO.cpp:214:8: style: The scope of the variable 'hoppingDestinationState' can be reduced. [variableScope] molds-0.3.1/src/nasco/NASCO.cpp:215:11: style: The scope of the variable 'hoppingProbability' can be reduced. [variableScope] molds-0.3.1/src/nasco/NASCO.cpp:331:56: style:inconclusive: Function 'MallocOverlapsDifferentMolecules' argument 3 names different: declaration 'overlapSingleSDs' definition 'overlapSingletSDs'. [funcArgNamesDifferent] molds-0.3.1/src/nasco/NASCO.h:78:52: note: Function 'MallocOverlapsDifferentMolecules' argument 3 names different: declaration 'overlapSingleSDs' definition 'overlapSingletSDs'. molds-0.3.1/src/nasco/NASCO.cpp:331:56: note: Function 'MallocOverlapsDifferentMolecules' argument 3 names different: declaration 'overlapSingleSDs' definition 'overlapSingletSDs'. molds-0.3.1/src/nasco/NASCO.cpp:348:54: style:inconclusive: Function 'FreeOverlapsDifferentMolecules' argument 3 names different: declaration 'overlapSingleSDs' definition 'overlapSingletSDs'. [funcArgNamesDifferent] molds-0.3.1/src/nasco/NASCO.h:83:50: note: Function 'FreeOverlapsDifferentMolecules' argument 3 names different: declaration 'overlapSingleSDs' definition 'overlapSingletSDs'. molds-0.3.1/src/nasco/NASCO.cpp:348:54: note: Function 'FreeOverlapsDifferentMolecules' argument 3 names different: declaration 'overlapSingleSDs' definition 'overlapSingletSDs'. molds-0.3.1/src/nasco/NASCO.cpp:177:37: style: Parameter 'molecule' can be declared as reference to const [constParameterReference] molds-0.3.1/src/nasco/NASCO.cpp:181:13: style: Variable 'atom' can be declared as pointer to const [constVariablePointer] molds-0.3.1/src/nasco/NASCO.cpp:192:13: style: Variable 'atom' can be declared as pointer to const [constVariablePointer] molds-0.3.1/src/nasco/NASCO.cpp:193:13: style: Variable 'tmpAtom' can be declared as pointer to const [constVariablePointer] molds-0.3.1/src/nasco/NASCO.cpp:257:13: style: Variable 'atom' can be declared as pointer to const [constVariablePointer] molds-0.3.1/src/nasco/NASCO.cpp:93:11: style: Variable 'time' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/nasco/NASCO.cpp:214:31: style: Variable 'hoppingDestinationState' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/nasco/NASCO.cpp:215:29: style: Variable 'hoppingProbability' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/optimization/BFGS.h:59:9: performance:inconclusive: Technically the member function 'MolDS_optimization::BFGS::CalcDisplacement' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/optimization/BFGS.cpp:561:12: note: Technically the member function 'MolDS_optimization::BFGS::CalcDisplacement' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/optimization/BFGS.h:59:9: note: Technically the member function 'MolDS_optimization::BFGS::CalcDisplacement' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/optimization/BFGS.h:62:9: performance:inconclusive: Technically the member function 'MolDS_optimization::BFGS::UpdateHessian' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/optimization/BFGS.cpp:311:12: note: Technically the member function 'MolDS_optimization::BFGS::UpdateHessian' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/optimization/BFGS.h:62:9: note: Technically the member function 'MolDS_optimization::BFGS::UpdateHessian' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/optimization/BFGS.h:67:9: performance:inconclusive: Technically the member function 'MolDS_optimization::BFGS::ShiftHessianRedundantMode' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/optimization/BFGS.cpp:355:12: note: Technically the member function 'MolDS_optimization::BFGS::ShiftHessianRedundantMode' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/optimization/BFGS.h:67:9: note: Technically the member function 'MolDS_optimization::BFGS::ShiftHessianRedundantMode' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/optimization/BFGS.h:69:11: performance:inconclusive: Technically the member function 'MolDS_optimization::BFGS::ApproximateEnergyChange' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/optimization/BFGS.cpp:497:14: note: Technically the member function 'MolDS_optimization::BFGS::ApproximateEnergyChange' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/optimization/BFGS.h:69:11: note: Technically the member function 'MolDS_optimization::BFGS::ApproximateEnergyChange' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/optimization/BFGS.h:77:9: performance:inconclusive: Technically the member function 'MolDS_optimization::BFGS::StoreMolecularGeometry' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/optimization/BFGS.cpp:575:12: note: Technically the member function 'MolDS_optimization::BFGS::StoreMolecularGeometry' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/optimization/BFGS.h:77:9: note: Technically the member function 'MolDS_optimization::BFGS::StoreMolecularGeometry' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/optimization/BFGS.h:79:9: performance:inconclusive: Technically the member function 'MolDS_optimization::BFGS::RollbackMolecularGeometry' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/optimization/BFGS.cpp:545:12: note: Technically the member function 'MolDS_optimization::BFGS::RollbackMolecularGeometry' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/optimization/BFGS.h:79:9: note: Technically the member function 'MolDS_optimization::BFGS::RollbackMolecularGeometry' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/optimization/BFGS.cpp:169:13: style: Condition 'doLineSearch' is always false [knownConditionTrueFalse] molds-0.3.1/src/optimization/BFGS.cpp:166:30: note: Assignment 'doLineSearch=false', assigned value is 0 molds-0.3.1/src/optimization/BFGS.cpp:169:13: note: Condition 'doLineSearch' is always false molds-0.3.1/src/optimization/BFGS.cpp:221:7: style: Throwing a copy of the caught exception instead of rethrowing the original exception. [exceptRethrowCopy] molds-0.3.1/src/optimization/BFGS.cpp:305:7: style: Throwing a copy of the caught exception instead of rethrowing the original exception. [exceptRethrowCopy] molds-0.3.1/src/optimization/BFGS.cpp:347:7: style: Throwing a copy of the caught exception instead of rethrowing the original exception. [exceptRethrowCopy] molds-0.3.1/src/optimization/BFGS.cpp:215:4: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/optimization/BFGS.cpp:302:4: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/optimization/BFGS.cpp:344:4: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/optimization/BFGS.cpp:476:4: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/optimization/BFGS.cpp:108:8: style: The scope of the variable 'elecState' can be reduced. [variableScope] molds-0.3.1/src/optimization/BFGS.cpp:109:11: style: The scope of the variable 'dt' can be reduced. [variableScope] molds-0.3.1/src/optimization/BFGS.cpp:110:8: style: The scope of the variable 'totalSteps' can be reduced. [variableScope] molds-0.3.1/src/optimization/BFGS.cpp:111:11: style: The scope of the variable 'maxGradientThreshold' can be reduced. [variableScope] molds-0.3.1/src/optimization/BFGS.cpp:112:11: style: The scope of the variable 'rmsGradientThreshold' can be reduced. [variableScope] molds-0.3.1/src/optimization/BFGS.cpp:113:11: style: The scope of the variable 'lineSearchCurrentEnergy' can be reduced. [variableScope] molds-0.3.1/src/optimization/BFGS.cpp:114:11: style: The scope of the variable 'lineSearchInitialEnergy' can be reduced. [variableScope] molds-0.3.1/src/optimization/BFGS.cpp:167:15: style: The scope of the variable 'tempCanOutputLogs' can be reduced. [variableScope] molds-0.3.1/src/optimization/BFGS.cpp:237:11: style: The scope of the variable 'normStep' can be reduced. [variableScope] molds-0.3.1/src/optimization/BFGS.cpp:107:32: style:inconclusive: Function 'SearchMinimum' argument 4 names different: declaration 'obainesOptimizedStructure' definition 'obtainesOptimizedStructure'. [funcArgNamesDifferent] molds-0.3.1/src/optimization/BFGS.h:51:37: note: Function 'SearchMinimum' argument 4 names different: declaration 'obainesOptimizedStructure' definition 'obtainesOptimizedStructure'. molds-0.3.1/src/optimization/BFGS.cpp:107:32: note: Function 'SearchMinimum' argument 4 names different: declaration 'obainesOptimizedStructure' definition 'obtainesOptimizedStructure'. molds-0.3.1/src/optimization/BFGS.cpp:233:37: style:inconclusive: Function 'CalcRFOStep' argument 4 names different: declaration 'maxNormStep' definition 'trustRadius'. [funcArgNamesDifferent] molds-0.3.1/src/optimization/BFGS.h:57:34: note: Function 'CalcRFOStep' argument 4 names different: declaration 'maxNormStep' definition 'trustRadius'. molds-0.3.1/src/optimization/BFGS.cpp:233:37: note: Function 'CalcRFOStep' argument 4 names different: declaration 'maxNormStep' definition 'trustRadius'. molds-0.3.1/src/optimization/BFGS.cpp:516:38: warning: Function 'UpdateTrustRadius' argument order different: declaration 'trustRadius, approximateEnergyChange, currentEnergy, initialEnergy' definition 'trustRadius, approximateEnergyChange, initialEnergy, currentEnergy' [funcArgOrderDifferent] molds-0.3.1/src/optimization/BFGS.h:73:35: note: Function 'UpdateTrustRadius' argument order different: declaration 'trustRadius, approximateEnergyChange, currentEnergy, initialEnergy' definition 'trustRadius, approximateEnergyChange, initialEnergy, currentEnergy' molds-0.3.1/src/optimization/BFGS.cpp:516:38: note: Function 'UpdateTrustRadius' argument order different: declaration 'trustRadius, approximateEnergyChange, currentEnergy, initialEnergy' definition 'trustRadius, approximateEnergyChange, initialEnergy, currentEnergy' molds-0.3.1/src/optimization/BFGS.cpp:123:13: style: Variable 'vectorOldCoordinates' can be declared as pointer to const [constVariablePointer] molds-0.3.1/src/optimization/BFGS.cpp:123:13: style: Variable 'vectorOldCoordinates' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/optimization/ConjugateGradient.h:36:9: performance:inconclusive: Technically the member function 'MolDS_optimization::ConjugateGradient::UpdateSearchDirection' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/optimization/ConjugateGradient.cpp:132:25: note: Technically the member function 'MolDS_optimization::ConjugateGradient::UpdateSearchDirection' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/optimization/ConjugateGradient.h:36:9: note: Technically the member function 'MolDS_optimization::ConjugateGradient::UpdateSearchDirection' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/optimization/ConjugateGradient.cpp:125:7: style: Throwing a copy of the caught exception instead of rethrowing the original exception. [exceptRethrowCopy] molds-0.3.1/src/optimization/ConjugateGradient.cpp:122:4: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/optimization/ConjugateGradient.cpp:73:11: style: The scope of the variable 'dt' can be reduced. [variableScope] molds-0.3.1/src/optimization/ConjugateGradient.cpp:74:11: style: The scope of the variable 'totalSteps' can be reduced. [variableScope] molds-0.3.1/src/optimization/ConjugateGradient.cpp:75:11: style: The scope of the variable 'maxGradientThreshold' can be reduced. [variableScope] molds-0.3.1/src/optimization/ConjugateGradient.cpp:76:11: style: The scope of the variable 'rmsGradientThreshold' can be reduced. [variableScope] molds-0.3.1/src/optimization/ConjugateGradient.cpp:78:11: style: The scope of the variable 'lineSearchInitialEnergy' can be reduced. [variableScope] molds-0.3.1/src/optimization/ConjugateGradient.cpp:71:45: style:inconclusive: Function 'SearchMinimum' argument 4 names different: declaration 'obainesOptimizedStructure' definition 'obtainesOptimizedStructure'. [funcArgNamesDifferent] molds-0.3.1/src/optimization/ConjugateGradient.h:35:29: note: Function 'SearchMinimum' argument 4 names different: declaration 'obainesOptimizedStructure' definition 'obtainesOptimizedStructure'. molds-0.3.1/src/optimization/ConjugateGradient.cpp:71:45: note: Function 'SearchMinimum' argument 4 names different: declaration 'obainesOptimizedStructure' definition 'obtainesOptimizedStructure'. molds-0.3.1/src/optimization/Optimizer.cpp:83:59: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/optimization/Optimizer.cpp:127:74: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/optimization/Optimizer.h:28:9: style:inconclusive: Technically the member function 'MolDS_optimization::Optimizer::Optimize' can be const. [functionConst] molds-0.3.1/src/optimization/Optimizer.cpp:61:17: note: Technically the member function 'MolDS_optimization::Optimizer::Optimize' can be const. molds-0.3.1/src/optimization/Optimizer.h:28:9: note: Technically the member function 'MolDS_optimization::Optimizer::Optimize' can be const. molds-0.3.1/src/optimization/Optimizer.h:34:9: performance:inconclusive: Technically the member function 'MolDS_optimization::Optimizer::UpdateMolecularCoordinates' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/optimization/Optimizer.cpp:140:17: note: Technically the member function 'MolDS_optimization::Optimizer::UpdateMolecularCoordinates' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/optimization/Optimizer.h:34:9: note: Technically the member function 'MolDS_optimization::Optimizer::UpdateMolecularCoordinates' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/optimization/Optimizer.h:35:9: performance:inconclusive: Technically the member function 'MolDS_optimization::Optimizer::UpdateMolecularCoordinates' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/optimization/Optimizer.cpp:152:17: note: Technically the member function 'MolDS_optimization::Optimizer::UpdateMolecularCoordinates' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/optimization/Optimizer.h:35:9: note: Technically the member function 'MolDS_optimization::Optimizer::UpdateMolecularCoordinates' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/optimization/Optimizer.h:70:9: performance:inconclusive: Technically the member function 'MolDS_optimization::Optimizer::ClearMolecularMomenta' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/optimization/Optimizer.cpp:132:17: note: Technically the member function 'MolDS_optimization::Optimizer::ClearMolecularMomenta' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/optimization/Optimizer.h:70:9: note: Technically the member function 'MolDS_optimization::Optimizer::ClearMolecularMomenta' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/optimization/GEDIIS.h:60:19: style:inconclusive: Member variable 'Entry::numAtoms' is in the wrong place in the initializer list. [initializerList] molds-0.3.1/src/optimization/GEDIIS.cpp:290:19: note: Member variable 'Entry::numAtoms' is in the wrong place in the initializer list. molds-0.3.1/src/optimization/GEDIIS.h:60:19: note: Member variable 'Entry::numAtoms' is in the wrong place in the initializer list. molds-0.3.1/src/optimization/GEDIIS.cpp:188:13: style: Condition 'doLineSearch' is always false [knownConditionTrueFalse] molds-0.3.1/src/optimization/GEDIIS.cpp:186:30: note: Assignment 'doLineSearch=false', assigned value is 0 molds-0.3.1/src/optimization/GEDIIS.cpp:188:13: note: Condition 'doLineSearch' is always false molds-0.3.1/src/optimization/GEDIIS.cpp:245:7: style: Throwing a copy of the caught exception instead of rethrowing the original exception. [exceptRethrowCopy] molds-0.3.1/src/optimization/GEDIIS.cpp:153:10: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/optimization/GEDIIS.cpp:237:4: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/optimization/GEDIIS.cpp:367:4: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/optimization/Optimizer.cpp:166:48: style:inconclusive: Function 'UpdateElectronicStructure' argument 4 names different: declaration 'printsLogs' definition 'canOutputLogs'. [funcArgNamesDifferent] molds-0.3.1/src/optimization/Optimizer.h:39:40: note: Function 'UpdateElectronicStructure' argument 4 names different: declaration 'printsLogs' definition 'canOutputLogs'. molds-0.3.1/src/optimization/Optimizer.cpp:166:48: note: Function 'UpdateElectronicStructure' argument 4 names different: declaration 'printsLogs' definition 'canOutputLogs'. molds-0.3.1/src/optimization/Optimizer.cpp:177:56: style:inconclusive: Function 'OutputMoleculeElectronicStructure' argument 3 names different: declaration 'printsLogs' definition 'canOutputLogs'. [funcArgNamesDifferent] molds-0.3.1/src/optimization/Optimizer.h:48:48: note: Function 'OutputMoleculeElectronicStructure' argument 3 names different: declaration 'printsLogs' definition 'canOutputLogs'. molds-0.3.1/src/optimization/Optimizer.cpp:177:56: note: Function 'OutputMoleculeElectronicStructure' argument 3 names different: declaration 'printsLogs' definition 'canOutputLogs'. molds-0.3.1/src/optimization/Optimizer.cpp:132:49: style: Parameter 'molecule' can be declared as reference to const [constParameterReference] molds-0.3.1/src/optimization/GEDIIS.cpp:83:8: style: The scope of the variable 'elecState' can be reduced. [variableScope] molds-0.3.1/src/optimization/GEDIIS.cpp:84:11: style: The scope of the variable 'dt' can be reduced. [variableScope] molds-0.3.1/src/optimization/GEDIIS.cpp:85:8: style: The scope of the variable 'totalSteps' can be reduced. [variableScope] molds-0.3.1/src/optimization/GEDIIS.cpp:86:11: style: The scope of the variable 'maxGradientThreshold' can be reduced. [variableScope] molds-0.3.1/src/optimization/GEDIIS.cpp:87:11: style: The scope of the variable 'rmsGradientThreshold' can be reduced. [variableScope] molds-0.3.1/src/optimization/GEDIIS.cpp:88:11: style: The scope of the variable 'lineSearchCurrentEnergy' can be reduced. [variableScope] molds-0.3.1/src/optimization/GEDIIS.cpp:89:11: style: The scope of the variable 'lineSearchInitialEnergy' can be reduced. [variableScope] molds-0.3.1/src/optimization/GEDIIS.cpp:187:15: style: The scope of the variable 'tempCanOutputLogs' can be reduced. [variableScope] molds-0.3.1/src/optimization/GEDIIS.cpp:82:34: style:inconclusive: Function 'SearchMinimum' argument 4 names different: declaration 'obainesOptimizedStructure' definition 'obtainesOptimizedStructure'. [funcArgNamesDifferent] molds-0.3.1/src/optimization/GEDIIS.h:78:37: note: Function 'SearchMinimum' argument 4 names different: declaration 'obainesOptimizedStructure' definition 'obtainesOptimizedStructure'. molds-0.3.1/src/optimization/GEDIIS.cpp:82:34: note: Function 'SearchMinimum' argument 4 names different: declaration 'obainesOptimizedStructure' definition 'obtainesOptimizedStructure'. molds-0.3.1/src/optimization/GEDIIS.cpp:98:13: style: Variable 'vectorOldCoordinates' can be declared as pointer to const [constVariablePointer] molds-0.3.1/src/optimization/GEDIIS.cpp:102:13: style: Variable 'vectorGEDIISForce' can be declared as pointer to const [constVariablePointer] molds-0.3.1/src/optimization/GEDIIS.cpp:98:13: style: Variable 'vectorOldCoordinates' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/optimization/GEDIIS.cpp:261:87: performance: Prefer prefix ++/-- operators for non-primitive types. [postfixOperator] molds-0.3.1/src/optimization/GEDIIS.cpp:332:52: performance: Prefer prefix ++/-- operators for non-primitive types. [postfixOperator] molds-0.3.1/src/optimization/GEDIIS.cpp:336:55: performance: Prefer prefix ++/-- operators for non-primitive types. [postfixOperator] molds-0.3.1/src/optimization/GEDIIS.cpp:354:52: performance: Prefer prefix ++/-- operators for non-primitive types. [postfixOperator] molds-0.3.1/src/optimization/SteepestDescent.cpp:78:11: style: The scope of the variable 'lineSearchInitialEnergy' can be reduced. [variableScope] molds-0.3.1/src/optimization/SteepestDescent.cpp:71:43: style:inconclusive: Function 'SearchMinimum' argument 4 names different: declaration 'obainesOptimizedStructure' definition 'obtainesOptimizedStructure'. [funcArgNamesDifferent] molds-0.3.1/src/optimization/SteepestDescent.h:35:29: note: Function 'SearchMinimum' argument 4 names different: declaration 'obainesOptimizedStructure' definition 'obtainesOptimizedStructure'. molds-0.3.1/src/optimization/SteepestDescent.cpp:71:43: note: Function 'SearchMinimum' argument 4 names different: declaration 'obainesOptimizedStructure' definition 'obtainesOptimizedStructure'. molds-0.3.1/src/optimization/SteepestDescent.cpp:78:37: style: Variable 'lineSearchInitialEnergy' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/pm3/Pm3Pddg.h:42:11: performance:inconclusive: Technically the member function 'MolDS_pm3::Pm3Pddg::GetPddgAdditonalDiatomCoreRepulsionTerm' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/pm3/Pm3Pddg.cpp:244:17: note: Technically the member function 'MolDS_pm3::Pm3Pddg::GetPddgAdditonalDiatomCoreRepulsionTerm' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/pm3/Pm3Pddg.h:42:11: note: Technically the member function 'MolDS_pm3::Pm3Pddg::GetPddgAdditonalDiatomCoreRepulsionTerm' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/pm3/Pm3Pddg.h:45:11: performance:inconclusive: Technically the member function 'MolDS_pm3::Pm3Pddg::GetPddgAdditonalDiatomCoreRepulsionTerm1stDerivative' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/pm3/Pm3Pddg.cpp:253:17: note: Technically the member function 'MolDS_pm3::Pm3Pddg::GetPddgAdditonalDiatomCoreRepulsionTerm1stDerivative' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/pm3/Pm3Pddg.h:45:11: note: Technically the member function 'MolDS_pm3::Pm3Pddg::GetPddgAdditonalDiatomCoreRepulsionTerm1stDerivative' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/pm3/Pm3Pddg.h:48:11: performance:inconclusive: Technically the member function 'MolDS_pm3::Pm3Pddg::GetPddgAdditonalDiatomCoreRepulsionTerm2ndDerivative' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/pm3/Pm3Pddg.cpp:263:17: note: Technically the member function 'MolDS_pm3::Pm3Pddg::GetPddgAdditonalDiatomCoreRepulsionTerm2ndDerivative' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/pm3/Pm3Pddg.h:48:11: note: Technically the member function 'MolDS_pm3::Pm3Pddg::GetPddgAdditonalDiatomCoreRepulsionTerm2ndDerivative' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/rpmd/RPMD.cpp:365:74: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/pm3/Pm3Pddg.cpp:213:24: style: Variable 'pddgExponent' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/rpmd/RPMD.h:55:9: style:inconclusive: Technically the member function 'MolDS_rpmd::RPMD::CheckEnableTheoryType' can be const. [functionConst] molds-0.3.1/src/rpmd/RPMD.cpp:342:12: note: Technically the member function 'MolDS_rpmd::RPMD::CheckEnableTheoryType' can be const. molds-0.3.1/src/rpmd/RPMD.h:55:9: note: Technically the member function 'MolDS_rpmd::RPMD::CheckEnableTheoryType' can be const. molds-0.3.1/src/rpmd/RPMD.h:56:9: performance:inconclusive: Technically the member function 'MolDS_rpmd::RPMD::CreateBeads' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/rpmd/RPMD.cpp:62:12: note: Technically the member function 'MolDS_rpmd::RPMD::CreateBeads' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/rpmd/RPMD.h:56:9: note: Technically the member function 'MolDS_rpmd::RPMD::CreateBeads' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/rpmd/RPMD.h:60:9: performance:inconclusive: Technically the member function 'MolDS_rpmd::RPMD::UpdateMomenta' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/rpmd/RPMD.cpp:90:12: note: Technically the member function 'MolDS_rpmd::RPMD::UpdateMomenta' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/rpmd/RPMD.h:60:9: note: Technically the member function 'MolDS_rpmd::RPMD::UpdateMomenta' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/rpmd/RPMD.h:65:9: performance:inconclusive: Technically the member function 'MolDS_rpmd::RPMD::UpdateCoordinates' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/rpmd/RPMD.cpp:118:12: note: Technically the member function 'MolDS_rpmd::RPMD::UpdateCoordinates' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/rpmd/RPMD.h:65:9: note: Technically the member function 'MolDS_rpmd::RPMD::UpdateCoordinates' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/rpmd/RPMD.h:68:9: performance:inconclusive: Technically the member function 'MolDS_rpmd::RPMD::BroadcastPhaseSpacepointsToAllProcesses' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/rpmd/RPMD.cpp:134:12: note: Technically the member function 'MolDS_rpmd::RPMD::BroadcastPhaseSpacepointsToAllProcesses' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/rpmd/RPMD.h:68:9: note: Technically the member function 'MolDS_rpmd::RPMD::BroadcastPhaseSpacepointsToAllProcesses' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/rpmd/RPMD.h:69:9: performance:inconclusive: Technically the member function 'MolDS_rpmd::RPMD::FluctuateBeads' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/rpmd/RPMD.cpp:141:12: note: Technically the member function 'MolDS_rpmd::RPMD::FluctuateBeads' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/rpmd/RPMD.h:69:9: note: Technically the member function 'MolDS_rpmd::RPMD::FluctuateBeads' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/tools/deriveParametersNDDO/deriveParametersNDDO.cpp:140:4: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable cout [valueFlowBailoutIncompleteVar] molds-0.3.1/src/rpmd/RPMD.cpp:94:33: style:inconclusive: Function 'UpdateMomenta' argument 5 names different: declaration 'templerature' definition 'temperature'. [funcArgNamesDifferent] molds-0.3.1/src/rpmd/RPMD.h:64:30: note: Function 'UpdateMomenta' argument 5 names different: declaration 'templerature' definition 'temperature'. molds-0.3.1/src/rpmd/RPMD.cpp:94:33: note: Function 'UpdateMomenta' argument 5 names different: declaration 'templerature' definition 'temperature'. molds-0.3.1/src/rpmd/RPMD.cpp:104:16: style: Variable 'atom' can be declared as pointer to const [constVariablePointer] molds-0.3.1/src/rpmd/RPMD.cpp:105:16: style: Variable 'preAtom' can be declared as pointer to const [constVariablePointer] molds-0.3.1/src/rpmd/RPMD.cpp:106:16: style: Variable 'postAtom' can be declared as pointer to const [constVariablePointer] molds-0.3.1/src/rpmd/RPMD.cpp:124:16: style: Variable 'atom' can be declared as pointer to const [constVariablePointer] molds-0.3.1/src/rpmd/RPMD.cpp:257:16: style: Variable 'atom' can be declared as pointer to const [constVariablePointer] molds-0.3.1/src/rpmd/RPMD.cpp:272:16: style: Variable 'atom' can be declared as pointer to const [constVariablePointer] molds-0.3.1/src/rpmd/RPMD.cpp:273:16: style: Variable 'preAtom' can be declared as pointer to const [constVariablePointer] molds-0.3.1/src/rpmd/RPMD.cpp:169:23: style: Variable 'kB' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/rpmd/RPMD.cpp:171:23: style: Variable 'numAtom' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/tools/deriveParametersNDDO/deriveParametersNDDO.cpp:0:0: debug: ValueFlow maximum iterations exceeded [valueFlowMaxIterations] molds-0.3.1/src/tools/deriveParametersNDDO/deriveParametersNDDO.cpp:69:16: style: The scope of the variable 'AD' can be reduced. [variableScope] molds-0.3.1/src/tools/deriveParametersNDDO/deriveParametersNDDO.cpp:70:16: style: The scope of the variable 'AQ' can be reduced. [variableScope] molds-0.3.1/src/tools/deriveParametersNDDO/deriveParametersNDDO.cpp:80:20: style: double result is assigned to long double variable. If the variable is long double to avoid loss of information, then you have loss of information. [truncLongCastAssignment] molds-0.3.1/src/tools/deriveParametersNDDO/deriveParametersNDDO.cpp:81:20: style: double result is assigned to long double variable. If the variable is long double to avoid loss of information, then you have loss of information. [truncLongCastAssignment] molds-0.3.1/src/tools/deriveParametersNDDO/deriveParametersNDDO.cpp:82:20: style: double result is assigned to long double variable. If the variable is long double to avoid loss of information, then you have loss of information. [truncLongCastAssignment] molds-0.3.1/src/tools/deriveParametersNDDO/deriveParametersNDDO.cpp:83:20: style: double result is assigned to long double variable. If the variable is long double to avoid loss of information, then you have loss of information. [truncLongCastAssignment] molds-0.3.1/src/tools/deriveParametersNDDO/deriveParametersNDDO.cpp:84:20: style: double result is assigned to long double variable. If the variable is long double to avoid loss of information, then you have loss of information. [truncLongCastAssignment] molds-0.3.1/src/tools/deriveParametersNDDO/deriveParametersNDDO.cpp:69:18: style: Variable 'AD' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/tools/deriveParametersNDDO/deriveParametersNDDO.cpp:70:18: style: Variable 'AQ' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/tools/paramYZ/paramYZ.cpp:91:7: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable cout [valueFlowBailoutIncompleteVar] molds-0.3.1/src/mndo/Mndo.cpp:2023:55: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable moI [valueFlowBailoutIncompleteVar] molds-0.3.1/src/mndo/Mndo.cpp:2195:49: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable moI [valueFlowBailoutIncompleteVar] molds-0.3.1/src/mndo/Mndo.cpp:2394:50: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable moI [valueFlowBailoutIncompleteVar] molds-0.3.1/src/mndo/Mndo.cpp:3812:79: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/mndo/Mndo.cpp:3917:76: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/mndo/Mndo.cpp:4001:76: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/mndo/Mndo.cpp:4757:76: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/mndo/Mndo.cpp:5494:76: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/mndo/Mndo.cpp:6429:76: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/mndo/Mndo.cpp:6468:76: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/mndo/Mndo.cpp:6952:77: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/mndo/Mndo.cpp:7400:77: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/wrappers/Blas.cpp:185:16: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable CblasNoTrans [valueFlowBailoutIncompleteVar] molds-0.3.1/src/wrappers/Blas.cpp:220:21: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable CblasUpper [valueFlowBailoutIncompleteVar] molds-0.3.1/src/wrappers/Blas.cpp:240:21: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable CblasUpper [valueFlowBailoutIncompleteVar] molds-0.3.1/src/wrappers/Blas.cpp:358:16: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable CblasNoTrans [valueFlowBailoutIncompleteVar] molds-0.3.1/src/wrappers/Blas.cpp:540:64: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable CblasRowMajor [valueFlowBailoutIncompleteVar] molds-0.3.1/src/wrappers/Blas.h:33:9: performance:inconclusive: Technically the member function 'MolDS_wrappers::Blas::Dcopy' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/wrappers/Blas.cpp:85:12: note: Technically the member function 'MolDS_wrappers::Blas::Dcopy' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/wrappers/Blas.h:33:9: note: Technically the member function 'MolDS_wrappers::Blas::Dcopy' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/wrappers/Blas.h:39:9: performance:inconclusive: Technically the member function 'MolDS_wrappers::Blas::Daxpy' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/wrappers/Blas.cpp:106:12: note: Technically the member function 'MolDS_wrappers::Blas::Daxpy' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/wrappers/Blas.h:39:9: note: Technically the member function 'MolDS_wrappers::Blas::Daxpy' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/wrappers/Blas.h:45:11: performance:inconclusive: Technically the member function 'MolDS_wrappers::Blas::Ddot' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/wrappers/Blas.cpp:127:14: note: Technically the member function 'MolDS_wrappers::Blas::Ddot' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/wrappers/Blas.h:45:11: note: Technically the member function 'MolDS_wrappers::Blas::Ddot' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/wrappers/Blas.h:50:11: performance:inconclusive: Technically the member function 'MolDS_wrappers::Blas::Damax' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/wrappers/Blas.cpp:145:14: note: Technically the member function 'MolDS_wrappers::Blas::Damax' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/wrappers/Blas.h:50:11: note: Technically the member function 'MolDS_wrappers::Blas::Damax' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/wrappers/Blas.h:56:9: performance:inconclusive: Technically the member function 'MolDS_wrappers::Blas::Dgemv' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/wrappers/Blas.cpp:172:12: note: Technically the member function 'MolDS_wrappers::Blas::Dgemv' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/wrappers/Blas.h:56:9: note: Technically the member function 'MolDS_wrappers::Blas::Dgemv' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/wrappers/Blas.h:69:9: performance:inconclusive: Technically the member function 'MolDS_wrappers::Blas::Dsymv' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/wrappers/Blas.cpp:213:12: note: Technically the member function 'MolDS_wrappers::Blas::Dsymv' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/wrappers/Blas.h:69:9: note: Technically the member function 'MolDS_wrappers::Blas::Dsymv' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/wrappers/Blas.h:77:9: performance:inconclusive: Technically the member function 'MolDS_wrappers::Blas::Dsyr' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/wrappers/Blas.cpp:235:12: note: Technically the member function 'MolDS_wrappers::Blas::Dsyr' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/wrappers/Blas.h:77:9: note: Technically the member function 'MolDS_wrappers::Blas::Dsyr' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/wrappers/Blas.h:162:8: performance:inconclusive: Technically the member function 'MolDS_wrappers::Blas::Dsyrk' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/wrappers/Blas.cpp:532:12: note: Technically the member function 'MolDS_wrappers::Blas::Dsyrk' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/wrappers/Blas.h:162:8: note: Technically the member function 'MolDS_wrappers::Blas::Dsyrk' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/wrappers/Blas.cpp:453:7: style: Throwing a copy of the caught exception instead of rethrowing the original exception. [exceptRethrowCopy] molds-0.3.1/src/wrappers/Blas.cpp:451:4: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/wrappers/Blas.cpp:299:11: style: C-style pointer casting [cstyleCast] molds-0.3.1/src/wrappers/Blas.cpp:203:30: style: Variable 'isColumnMajorMatrixA' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/wrappers/Lapack.cpp:114:26: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable LAPACK_ROW_MAJOR [valueFlowBailoutIncompleteVar] molds-0.3.1/src/wrappers/Lapack.cpp:186:25: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable LAPACK_ROW_MAJOR [valueFlowBailoutIncompleteVar] molds-0.3.1/src/wrappers/Lapack.cpp:236:29: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable LAPACK_ROW_MAJOR [valueFlowBailoutIncompleteVar] molds-0.3.1/src/wrappers/Lapack.cpp:286:26: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable LAPACK_ROW_MAJOR [valueFlowBailoutIncompleteVar] molds-0.3.1/src/tools/paramYZ/paramYZ.cpp:231:4: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/tools/paramYZ/paramYZ.cpp:49:8: style:inconclusive: Same expression used in consecutive assignments of 'I' and 'J'. [duplicateAssignExpression] molds-0.3.1/src/tools/paramYZ/paramYZ.cpp:50:8: note: Same expression used in consecutive assignments of 'I' and 'J'. molds-0.3.1/src/tools/paramYZ/paramYZ.cpp:49:8: note: Same expression used in consecutive assignments of 'I' and 'J'. molds-0.3.1/src/tools/paramYZ/paramYZ.cpp:90:9: style: The comparison '3 < ShellType_end' is always false. [knownConditionTrueFalse] molds-0.3.1/src/wrappers/Lapack.cpp:133:7: style: Throwing a copy of the caught exception instead of rethrowing the original exception. [exceptRethrowCopy] molds-0.3.1/src/wrappers/Lapack.cpp:247:7: style: Throwing a copy of the caught exception instead of rethrowing the original exception. [exceptRethrowCopy] molds-0.3.1/src/wrappers/Lapack.cpp:131:4: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/wrappers/Lapack.cpp:243:4: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/wrappers/Lapack.cpp:183:11: style: C-style pointer casting [cstyleCast] molds-0.3.1/src/wrappers/Lapack.cpp:226:14: style: C-style pointer casting [cstyleCast] molds-0.3.1/src/wrappers/Lapack.cpp:227:14: style: C-style pointer casting [cstyleCast] molds-0.3.1/src/wrappers/Lapack.cpp:265:29: style: C-style pointer casting [cstyleCast] molds-0.3.1/src/wrappers/Lapack.cpp:212:9: style: The scope of the variable 'trans' can be reduced. [variableScope] molds-0.3.1/src/zindo/ZindoS.cpp:2674:9: debug: Scope::checkVariable found variable 'requires' with varid 0. [varid0] molds-0.3.1/src/zindo/ZindoS.cpp:1421:52: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/zindo/ZindoS.cpp:1810:91: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable coefficient [valueFlowBailoutIncompleteVar] molds-0.3.1/src/zindo/ZindoS.cpp:2161:43: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable slaterIndex [valueFlowBailoutIncompleteVar] molds-0.3.1/src/zindo/ZindoS.cpp:2894:41: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable moI [valueFlowBailoutIncompleteVar] molds-0.3.1/src/zindo/ZindoS.cpp:3052:44: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable moI [valueFlowBailoutIncompleteVar] molds-0.3.1/src/zindo/ZindoS.cpp:3300:47: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable moI [valueFlowBailoutIncompleteVar] molds-0.3.1/src/zindo/ZindoS.cpp:3332:44: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable moI [valueFlowBailoutIncompleteVar] molds-0.3.1/src/zindo/ZindoS.cpp:3393:44: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable moI [valueFlowBailoutIncompleteVar] molds-0.3.1/src/zindo/ZindoS.h:208:9: style: Unused private function: 'ZindoS::CalcElectronicDipoleMomentsExcitedStates' [unusedPrivateFunction] molds-0.3.1/src/zindo/ZindoS.h:215:9: style: Unused private function: 'ZindoS::CalcElectronicTransitionDipoleMoments' [unusedPrivateFunction] molds-0.3.1/src/zindo/ZindoS.h:125:9: performance:inconclusive: Technically the member function 'MolDS_zindo::ZindoS::RequiresExcitedStatesForce' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/zindo/ZindoS.cpp:2673:14: note: Technically the member function 'MolDS_zindo::ZindoS::RequiresExcitedStatesForce' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/zindo/ZindoS.h:125:9: note: Technically the member function 'MolDS_zindo::ZindoS::RequiresExcitedStatesForce' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/zindo/ZindoS.h:127:8: performance:inconclusive: Technically the member function 'MolDS_zindo::ZindoS::GetSlaterDeterminantIndex' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/zindo/ZindoS.cpp:2654:13: note: Technically the member function 'MolDS_zindo::ZindoS::GetSlaterDeterminantIndex' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/zindo/ZindoS.h:127:8: note: Technically the member function 'MolDS_zindo::ZindoS::GetSlaterDeterminantIndex' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/zindo/ZindoS.h:145:11: performance:inconclusive: Technically the member function 'MolDS_zindo::ZindoS::GetNRElement' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/zindo/ZindoS.cpp:3469:16: note: Technically the member function 'MolDS_zindo::ZindoS::GetNRElement' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/zindo/ZindoS.h:145:11: note: Technically the member function 'MolDS_zindo::ZindoS::GetNRElement' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/base/loggers/HoleDensityLogger.h:31:9: warning: The class 'HoleDensityLogger' defines member function with name 'SetMessages' also defined in its parent class 'DensityLogger'. [duplInheritedMember] molds-0.3.1/src/base/loggers/DensityLogger.h:41:9: note: Parent function 'DensityLogger::SetMessages' molds-0.3.1/src/base/loggers/HoleDensityLogger.h:31:9: note: Derived function 'HoleDensityLogger::SetMessages' molds-0.3.1/src/base/loggers/ParticleDensityLogger.h:31:9: warning: The class 'ParticleDensityLogger' defines member function with name 'SetMessages' also defined in its parent class 'DensityLogger'. [duplInheritedMember] molds-0.3.1/src/base/loggers/DensityLogger.h:41:9: note: Parent function 'DensityLogger::SetMessages' molds-0.3.1/src/base/loggers/ParticleDensityLogger.h:31:9: note: Derived function 'ParticleDensityLogger::SetMessages' molds-0.3.1/src/zindo/ZindoS.cpp:482:23: style: Condition 'orbital1!=orbital2' is always true [knownConditionTrueFalse] molds-0.3.1/src/zindo/ZindoS.cpp:1465:41: style: Condition 'to!=groundState' is always true [knownConditionTrueFalse] molds-0.3.1/src/zindo/ZindoS.cpp:2283:18: style: Condition '!allConverged' is always true [knownConditionTrueFalse] molds-0.3.1/src/zindo/ZindoS.cpp:2279:13: note: Assuming that condition 'allConverged' is not redundant molds-0.3.1/src/zindo/ZindoS.cpp:2283:18: note: Condition '!allConverged' is always true molds-0.3.1/src/zindo/ZindoS.cpp:2288:18: style: Condition '!allConverged' is always true [knownConditionTrueFalse] molds-0.3.1/src/zindo/ZindoS.cpp:2279:13: note: Assuming that condition 'allConverged' is not redundant molds-0.3.1/src/zindo/ZindoS.cpp:2288:18: note: Condition '!allConverged' is always true molds-0.3.1/src/zindo/ZindoS.cpp:2295:18: style: Condition '!allConverged' is always true [knownConditionTrueFalse] molds-0.3.1/src/zindo/ZindoS.cpp:2279:13: note: Assuming that condition 'allConverged' is not redundant molds-0.3.1/src/zindo/ZindoS.cpp:2295:18: note: Condition '!allConverged' is always true molds-0.3.1/src/zindo/ZindoS.cpp:882:7: style: Throwing a copy of the caught exception instead of rethrowing the original exception. [exceptRethrowCopy] molds-0.3.1/src/zindo/ZindoS.cpp:943:7: style: Throwing a copy of the caught exception instead of rethrowing the original exception. [exceptRethrowCopy] molds-0.3.1/src/zindo/ZindoS.cpp:1252:7: style: Throwing a copy of the caught exception instead of rethrowing the original exception. [exceptRethrowCopy] molds-0.3.1/src/zindo/ZindoS.cpp:2272:13: style: Throwing a copy of the caught exception instead of rethrowing the original exception. [exceptRethrowCopy] molds-0.3.1/src/zindo/ZindoS.cpp:2308:7: style: Throwing a copy of the caught exception instead of rethrowing the original exception. [exceptRethrowCopy] molds-0.3.1/src/zindo/ZindoS.cpp:2768:7: style: Throwing a copy of the caught exception instead of rethrowing the original exception. [exceptRethrowCopy] molds-0.3.1/src/zindo/ZindoS.cpp:2869:7: style: Throwing a copy of the caught exception instead of rethrowing the original exception. [exceptRethrowCopy] molds-0.3.1/src/zindo/ZindoS.cpp:764:7: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/zindo/ZindoS.cpp:878:4: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/zindo/ZindoS.cpp:939:4: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/zindo/ZindoS.cpp:1248:4: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/zindo/ZindoS.cpp:1452:13: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/zindo/ZindoS.cpp:1490:13: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/zindo/ZindoS.cpp:1528:13: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/zindo/ZindoS.cpp:1568:13: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/zindo/ZindoS.cpp:1685:10: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/zindo/ZindoS.cpp:1728:10: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/zindo/ZindoS.cpp:1780:10: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/zindo/ZindoS.cpp:2120:7: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/zindo/ZindoS.cpp:2268:10: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/zindo/ZindoS.cpp:2304:4: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/zindo/ZindoS.cpp:2402:13: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/zindo/ZindoS.cpp:2753:16: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/zindo/ZindoS.cpp:2766:4: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/zindo/ZindoS.cpp:2847:13: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/zindo/ZindoS.cpp:2858:4: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/zindo/ZindoS.cpp:2990:7: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/zindo/ZindoS.cpp:3070:7: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/zindo/ZindoS.cpp:3094:7: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/zindo/ZindoS.cpp:3246:7: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/zindo/ZindoS.cpp:3268:7: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/zindo/ZindoS.cpp:3304:10: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/zindo/ZindoS.cpp:3342:13: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/zindo/ZindoS.cpp:3403:13: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/zindo/ZindoS.cpp:3819:10: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/zindo/ZindoS.cpp:235:14: style: The scope of the variable 'coulomb' can be reduced. [variableScope] molds-0.3.1/src/zindo/ZindoS.cpp:236:14: style: The scope of the variable 'exchange' can be reduced. [variableScope] molds-0.3.1/src/zindo/ZindoS.cpp:237:11: style: The scope of the variable 'lammda' can be reduced. [variableScope] molds-0.3.1/src/zindo/ZindoS.cpp:246:19: style: The scope of the variable 'orbitalLam' can be reduced. [variableScope] molds-0.3.1/src/zindo/ZindoS.cpp:262:25: style: The scope of the variable 'orbitalSigma' can be reduced. [variableScope] molds-0.3.1/src/zindo/ZindoS.cpp:263:17: style: The scope of the variable 'sigma' can be reduced. [variableScope] molds-0.3.1/src/zindo/ZindoS.cpp:304:14: style: The scope of the variable 'coulomb' can be reduced. [variableScope] molds-0.3.1/src/zindo/ZindoS.cpp:305:14: style: The scope of the variable 'exchange' can be reduced. [variableScope] molds-0.3.1/src/zindo/ZindoS.cpp:835:11: style: The scope of the variable 'sqrtGroundStateOverlap' can be reduced. [variableScope] molds-0.3.1/src/zindo/ZindoS.cpp:903:8: style: The scope of the variable 'groundstate' can be reduced. [variableScope] molds-0.3.1/src/zindo/ZindoS.cpp:974:28: style: The scope of the variable 'orbitalNu' can be reduced. [variableScope] molds-0.3.1/src/zindo/ZindoS.cpp:1049:8: style: The scope of the variable 'numberActiveOcc' can be reduced. [variableScope] molds-0.3.1/src/zindo/ZindoS.cpp:2136:8: style: The scope of the variable 'maxIter' can be reduced. [variableScope] molds-0.3.1/src/zindo/ZindoS.cpp:2137:8: style: The scope of the variable 'maxDim' can be reduced. [variableScope] molds-0.3.1/src/zindo/ZindoS.cpp:2138:11: style: The scope of the variable 'normTol' can be reduced. [variableScope] molds-0.3.1/src/zindo/ZindoS.cpp:2139:9: style: The scope of the variable 'convergeExcitedStates' can be reduced. [variableScope] molds-0.3.1/src/zindo/ZindoS.cpp:2140:8: style: The scope of the variable 'interactionMatrixDimension' can be reduced. [variableScope] molds-0.3.1/src/zindo/ZindoS.cpp:2141:9: style: The scope of the variable 'reachMaxDim' can be reduced. [variableScope] molds-0.3.1/src/zindo/ZindoS.cpp:2142:9: style: The scope of the variable 'allConverged' can be reduced. [variableScope] molds-0.3.1/src/zindo/ZindoS.cpp:2410:14: style: The scope of the variable 'source' can be reduced. [variableScope] molds-0.3.1/src/zindo/ZindoS.cpp:2411:14: style: The scope of the variable 'dest' can be reduced. [variableScope] molds-0.3.1/src/zindo/ZindoS.cpp:2469:28: style: The scope of the variable 'orbitalNu' can be reduced. [variableScope] molds-0.3.1/src/zindo/ZindoS.cpp:2562:28: style: The scope of the variable 'orbitalNu' can be reduced. [variableScope] molds-0.3.1/src/zindo/ZindoS.cpp:2721:8: style: The scope of the variable 'numberActiveOcc' can be reduced. [variableScope] molds-0.3.1/src/zindo/ZindoS.cpp:2722:8: style: The scope of the variable 'numberActiveVir' can be reduced. [variableScope] molds-0.3.1/src/zindo/ZindoS.cpp:2723:8: style: The scope of the variable 'groundState' can be reduced. [variableScope] molds-0.3.1/src/zindo/ZindoS.cpp:3350:14: style: The scope of the variable 'source' can be reduced. [variableScope] molds-0.3.1/src/zindo/ZindoS.cpp:3351:14: style: The scope of the variable 'dest' can be reduced. [variableScope] molds-0.3.1/src/zindo/ZindoS.cpp:3411:14: style: The scope of the variable 'source' can be reduced. [variableScope] molds-0.3.1/src/zindo/ZindoS.cpp:3412:14: style: The scope of the variable 'dest' can be reduced. [variableScope] molds-0.3.1/src/zindo/ZindoS.cpp:3663:11: style: The scope of the variable 'firstAOIndexA' can be reduced. [variableScope] molds-0.3.1/src/zindo/ZindoS.cpp:3664:11: style: The scope of the variable 'lastAOIndexA' can be reduced. [variableScope] molds-0.3.1/src/zindo/ZindoS.cpp:290:59: style:inconclusive: Function 'GetFockOffDiagElement' argument 9 names different: declaration 'overelap' definition 'overlapAOs'. [funcArgNamesDifferent] molds-0.3.1/src/zindo/ZindoS.h:82:62: note: Function 'GetFockOffDiagElement' argument 9 names different: declaration 'overelap' definition 'overlapAOs'. molds-0.3.1/src/zindo/ZindoS.cpp:290:59: note: Function 'GetFockOffDiagElement' argument 9 names different: declaration 'overelap' definition 'overlapAOs'. molds-0.3.1/src/zindo/ZindoS.cpp:1232:24: style: Local variable 'l' shadows outer variable [shadowVariable] molds-0.3.1/src/zindo/ZindoS.cpp:1224:21: note: Shadowed declaration molds-0.3.1/src/zindo/ZindoS.cpp:1232:24: note: Shadow variable molds-0.3.1/src/zindo/ZindoS.cpp:119:20: style: Variable 'elecStates' can be declared as pointer to const [constVariablePointer] molds-0.3.1/src/zindo/ZindoS.cpp:1704:17: style: Variable 'elecStates' can be declared as pointer to const [constVariablePointer] molds-0.3.1/src/zindo/ZindoS.cpp:1750:17: style: Variable 'elecStates' can be declared as pointer to const [constVariablePointer] molds-0.3.1/src/zindo/ZindoS.cpp:2001:53: style: Parameter 'cisEigenVector' can be declared as pointer to const [constParameterPointer] molds-0.3.1/src/zindo/ZindoS.cpp:235:22: style: Variable 'coulomb' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/zindo/ZindoS.cpp:236:23: style: Variable 'exchange' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/zindo/ZindoS.cpp:237:18: style: Variable 'lammda' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/zindo/ZindoS.cpp:265:24: style: Variable 'rAB' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/zindo/ZindoS.cpp:304:22: style: Variable 'coulomb' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/zindo/ZindoS.cpp:305:23: style: Variable 'exchange' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/zindo/ZindoS.cpp:1095:8: style: Variable 'numberOcc' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/zindo/ZindoS.cpp:1096:8: style: Variable 'numberActiveOcc' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/zindo/ZindoS.cpp:1097:8: style: Variable 'numberActiveVir' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/zindo/ZindoS.cpp:1793:24: style: Variable 'numberActiveOcc' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/zindo/ZindoS.cpp:1794:24: style: Variable 'numberActiveVir' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/zindo/ZindoS.cpp:2448:20: style: Variable 'exchange' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/zindo/ZindoS.cpp:2449:20: style: Variable 'coulomb' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/zindo/ZindoS.cpp:2541:20: style: Variable 'exchange' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/zindo/ZindoS.cpp:2542:20: style: Variable 'coulomb' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/zindo/ZindoS.cpp:3135:24: style: Variable 'rAB' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:342:71: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/cndo/Cndo2.cpp:745:82: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/cndo/Cndo2.cpp:1832:52: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/cndo/Cndo2.cpp:3773:69: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/cndo/Cndo2.cpp:3803:73: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/cndo/Cndo2.cpp:5051:69: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/cndo/Cndo2.cpp:5389:69: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] molds-0.3.1/src/cndo/Cndo2.h:246:11: performance:inconclusive: Technically the member function 'MolDS_cndo::Cndo2::Get2ndDerivativeElementFromDistanceDerivatives' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/cndo/Cndo2.cpp:4337:15: note: Technically the member function 'MolDS_cndo::Cndo2::Get2ndDerivativeElementFromDistanceDerivatives' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/cndo/Cndo2.h:246:11: note: Technically the member function 'MolDS_cndo::Cndo2::Get2ndDerivativeElementFromDistanceDerivatives' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/cndo/Cndo2.h:365:11: performance:inconclusive: Technically the member function 'MolDS_cndo::Cndo2::GetVdwDampingValue' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/cndo/Cndo2.cpp:419:15: note: Technically the member function 'MolDS_cndo::Cndo2::GetVdwDampingValue' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/cndo/Cndo2.h:365:11: note: Technically the member function 'MolDS_cndo::Cndo2::GetVdwDampingValue' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/cndo/Cndo2.h:366:11: performance:inconclusive: Technically the member function 'MolDS_cndo::Cndo2::GetVdwDampingValue1stDerivative' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/cndo/Cndo2.cpp:425:15: note: Technically the member function 'MolDS_cndo::Cndo2::GetVdwDampingValue1stDerivative' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/cndo/Cndo2.h:366:11: note: Technically the member function 'MolDS_cndo::Cndo2::GetVdwDampingValue1stDerivative' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/cndo/Cndo2.h:367:11: performance:inconclusive: Technically the member function 'MolDS_cndo::Cndo2::GetVdwDampingValue2ndDerivative' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/cndo/Cndo2.cpp:434:15: note: Technically the member function 'MolDS_cndo::Cndo2::GetVdwDampingValue2ndDerivative' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/cndo/Cndo2.h:367:11: note: Technically the member function 'MolDS_cndo::Cndo2::GetVdwDampingValue2ndDerivative' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/cndo/Cndo2.h:433:11: performance:inconclusive: Technically the member function 'MolDS_cndo::Cndo2::GetGaussianOverlapAOsSASB' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/cndo/Cndo2.cpp:4470:15: note: Technically the member function 'MolDS_cndo::Cndo2::GetGaussianOverlapAOsSASB' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/cndo/Cndo2.h:433:11: note: Technically the member function 'MolDS_cndo::Cndo2::GetGaussianOverlapAOsSASB' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/cndo/Cndo2.h:476:9: performance:inconclusive: Technically the member function 'MolDS_cndo::Cndo2::RotateDiatmicOverlapAOsToSpaceFrame' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/cndo/Cndo2.cpp:5998:13: note: Technically the member function 'MolDS_cndo::Cndo2::RotateDiatmicOverlapAOsToSpaceFrame' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/cndo/Cndo2.h:476:9: note: Technically the member function 'MolDS_cndo::Cndo2::RotateDiatmicOverlapAOsToSpaceFrame' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/cndo/Cndo2.h:487:11: performance:inconclusive: Technically the member function 'MolDS_cndo::Cndo2::GetAuxiliaryA' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/cndo/Cndo2.cpp:6292:15: note: Technically the member function 'MolDS_cndo::Cndo2::GetAuxiliaryA' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/cndo/Cndo2.h:487:11: note: Technically the member function 'MolDS_cndo::Cndo2::GetAuxiliaryA' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/cndo/Cndo2.h:488:11: performance:inconclusive: Technically the member function 'MolDS_cndo::Cndo2::GetAuxiliaryB' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/cndo/Cndo2.cpp:6320:15: note: Technically the member function 'MolDS_cndo::Cndo2::GetAuxiliaryB' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/cndo/Cndo2.h:488:11: note: Technically the member function 'MolDS_cndo::Cndo2::GetAuxiliaryB' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/cndo/Cndo2.h:489:11: performance:inconclusive: Technically the member function 'MolDS_cndo::Cndo2::GetAuxiliaryD' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/cndo/Cndo2.cpp:6366:15: note: Technically the member function 'MolDS_cndo::Cndo2::GetAuxiliaryD' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/cndo/Cndo2.h:489:11: note: Technically the member function 'MolDS_cndo::Cndo2::GetAuxiliaryD' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/cndo/Cndo2.cpp:651:7: style: Throwing a copy of the caught exception instead of rethrowing the original exception. [exceptRethrowCopy] molds-0.3.1/src/cndo/Cndo2.cpp:1290:7: style: Throwing a copy of the caught exception instead of rethrowing the original exception. [exceptRethrowCopy] molds-0.3.1/src/cndo/Cndo2.cpp:3907:7: style: Throwing a copy of the caught exception instead of rethrowing the original exception. [exceptRethrowCopy] molds-0.3.1/src/cndo/Cndo2.cpp:643:4: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/cndo/Cndo2.cpp:929:11: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/cndo/Cndo2.cpp:976:10: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/cndo/Cndo2.cpp:1285:4: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/cndo/Cndo2.cpp:1393:7: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/cndo/Cndo2.cpp:1494:16: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/cndo/Cndo2.cpp:1717:13: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/cndo/Cndo2.cpp:1876:16: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/cndo/Cndo2.cpp:3858:7: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/cndo/Cndo2.cpp:3905:4: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/cndo/Cndo2.cpp:3995:13: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/cndo/Cndo2.cpp:4389:7: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/cndo/Cndo2.cpp:6095:8: style:inconclusive: Same expression used in consecutive assignments of 'I' and 'J'. [duplicateAssignExpression] molds-0.3.1/src/cndo/Cndo2.cpp:6096:8: note: Same expression used in consecutive assignments of 'I' and 'J'. molds-0.3.1/src/cndo/Cndo2.cpp:6095:8: note: Same expression used in consecutive assignments of 'I' and 'J'. molds-0.3.1/src/cndo/Cndo2.cpp:6142:8: style:inconclusive: Same expression used in consecutive assignments of 'I' and 'J'. [duplicateAssignExpression] molds-0.3.1/src/cndo/Cndo2.cpp:6143:8: note: Same expression used in consecutive assignments of 'I' and 'J'. molds-0.3.1/src/cndo/Cndo2.cpp:6142:8: note: Same expression used in consecutive assignments of 'I' and 'J'. molds-0.3.1/src/cndo/Cndo2.cpp:6173:8: style:inconclusive: Same expression used in consecutive assignments of 'I' and 'J'. [duplicateAssignExpression] molds-0.3.1/src/cndo/Cndo2.cpp:6174:8: note: Same expression used in consecutive assignments of 'I' and 'J'. molds-0.3.1/src/cndo/Cndo2.cpp:6173:8: note: Same expression used in consecutive assignments of 'I' and 'J'. molds-0.3.1/src/cndo/Cndo2.cpp:6205:8: style:inconclusive: Same expression used in consecutive assignments of 'I' and 'J'. [duplicateAssignExpression] molds-0.3.1/src/cndo/Cndo2.cpp:6206:8: note: Same expression used in consecutive assignments of 'I' and 'J'. molds-0.3.1/src/cndo/Cndo2.cpp:6205:8: note: Same expression used in consecutive assignments of 'I' and 'J'. molds-0.3.1/src/cndo/Cndo2.cpp:6239:8: style:inconclusive: Same expression used in consecutive assignments of 'I' and 'J'. [duplicateAssignExpression] molds-0.3.1/src/cndo/Cndo2.cpp:6240:8: note: Same expression used in consecutive assignments of 'I' and 'J'. molds-0.3.1/src/cndo/Cndo2.cpp:6239:8: note: Same expression used in consecutive assignments of 'I' and 'J'. molds-0.3.1/src/cndo/Cndo2.cpp:6272:8: style:inconclusive: Same expression used in consecutive assignments of 'I' and 'J'. [duplicateAssignExpression] molds-0.3.1/src/cndo/Cndo2.cpp:6273:8: note: Same expression used in consecutive assignments of 'I' and 'J'. molds-0.3.1/src/cndo/Cndo2.cpp:6272:8: note: Same expression used in consecutive assignments of 'I' and 'J'. molds-0.3.1/src/cndo/Cndo2.cpp:5057:7: style: Statements following 'throw' will never be executed. [unreachableCode] molds-0.3.1/src/cndo/Cndo2.cpp:566:12: style: The scope of the variable 'isGuess' can be reduced. [variableScope] molds-0.3.1/src/cndo/Cndo2.cpp:963:8: style: The scope of the variable 'totalNumberAOs' can be reduced. [variableScope] molds-0.3.1/src/cndo/Cndo2.cpp:1502:17: style: The scope of the variable 'source' can be reduced. [variableScope] molds-0.3.1/src/cndo/Cndo2.cpp:1503:17: style: The scope of the variable 'dest' can be reduced. [variableScope] molds-0.3.1/src/cndo/Cndo2.cpp:1725:14: style: The scope of the variable 'source' can be reduced. [variableScope] molds-0.3.1/src/cndo/Cndo2.cpp:1726:14: style: The scope of the variable 'dest' can be reduced. [variableScope] molds-0.3.1/src/cndo/Cndo2.cpp:1887:14: style: The scope of the variable 'source' can be reduced. [variableScope] molds-0.3.1/src/cndo/Cndo2.cpp:1888:14: style: The scope of the variable 'dest' can be reduced. [variableScope] molds-0.3.1/src/cndo/Cndo2.cpp:3821:8: style: The scope of the variable 'totalAtomNumber' can be reduced. [variableScope] molds-0.3.1/src/cndo/Cndo2.cpp:3881:8: style: The scope of the variable 'usedMONumber' can be reduced. [variableScope] molds-0.3.1/src/cndo/Cndo2.cpp:3955:11: style: The scope of the variable 'firstAOIndexA' can be reduced. [variableScope] molds-0.3.1/src/cndo/Cndo2.cpp:4014:14: style: The scope of the variable 'source' can be reduced. [variableScope] molds-0.3.1/src/cndo/Cndo2.cpp:4015:14: style: The scope of the variable 'dest' can be reduced. [variableScope] molds-0.3.1/src/cndo/Cndo2.cpp:4085:11: style: The scope of the variable 'alpha' can be reduced. [variableScope] molds-0.3.1/src/cndo/Cndo2.cpp:4086:11: style: The scope of the variable 'beta' can be reduced. [variableScope] molds-0.3.1/src/cndo/Cndo2.cpp:5723:11: style: The scope of the variable 'orbitalExponentA' can be reduced. [variableScope] molds-0.3.1/src/cndo/Cndo2.cpp:5792:11: style: The scope of the variable 'orbitalExponentA' can be reduced. [variableScope] molds-0.3.1/src/cndo/Cndo2.cpp:5885:11: style: The scope of the variable 'orbitalExponentA' can be reduced. [variableScope] molds-0.3.1/src/cndo/Cndo2.cpp:6071:16: style: The scope of the variable 'orbitalA' can be reduced. [variableScope] molds-0.3.1/src/cndo/Cndo2.cpp:6116:11: style: The scope of the variable 'temp' can be reduced. [variableScope] molds-0.3.1/src/cndo/Cndo2.cpp:6322:11: style: The scope of the variable 'pre1' can be reduced. [variableScope] molds-0.3.1/src/cndo/Cndo2.cpp:6323:11: style: The scope of the variable 'pre2' can be reduced. [variableScope] molds-0.3.1/src/cndo/Cndo2.cpp:6367:11: style: The scope of the variable 'errorMessageAuxiliaryDNegativeM' can be reduced. [variableScope] molds-0.3.1/src/cndo/Cndo2.cpp:1379:49: style:inconclusive: Function 'SatisfyConvergenceCriterion' argument 6 names different: declaration 'diisErro' definition 'diisError'. [funcArgNamesDifferent] molds-0.3.1/src/cndo/Cndo2.h:378:45: note: Function 'SatisfyConvergenceCriterion' argument 6 names different: declaration 'diisErro' definition 'diisError'. molds-0.3.1/src/cndo/Cndo2.cpp:1379:49: note: Function 'SatisfyConvergenceCriterion' argument 6 names different: declaration 'diisErro' definition 'diisError'. molds-0.3.1/src/cndo/Cndo2.cpp:2050:49: style:inconclusive: Function 'GetGaussianCartesianMatrix' argument 10 names different: declaration 'ovelapSASB' definition 'overlapSASB'. [funcArgNamesDifferent] molds-0.3.1/src/cndo/Cndo2.h:422:45: note: Function 'GetGaussianCartesianMatrix' argument 10 names different: declaration 'ovelapSASB' definition 'overlapSASB'. molds-0.3.1/src/cndo/Cndo2.cpp:2050:49: note: Function 'GetGaussianCartesianMatrix' argument 10 names different: declaration 'ovelapSASB' definition 'overlapSASB'. molds-0.3.1/src/cndo/Cndo2.cpp:4200:61: style:inconclusive: Function 'CalcDiatomicOverlapAOs2ndDerivatives' argument 1 names different: declaration 'overlapAOs2ndDeri' definition 'diatomicOverlapAOs2ndDerivs'. [funcArgNamesDifferent] molds-0.3.1/src/cndo/Cndo2.h:224:57: note: Function 'CalcDiatomicOverlapAOs2ndDerivatives' argument 1 names different: declaration 'overlapAOs2ndDeri' definition 'diatomicOverlapAOs2ndDerivs'. molds-0.3.1/src/cndo/Cndo2.cpp:4200:61: note: Function 'CalcDiatomicOverlapAOs2ndDerivatives' argument 1 names different: declaration 'overlapAOs2ndDeri' definition 'diatomicOverlapAOs2ndDerivs'. molds-0.3.1/src/cndo/Cndo2.cpp:4313:61: style:inconclusive: Function 'CalcDiatomicOverlapAOs2ndDerivatives' argument 1 names different: declaration 'overlapAOs2ndDeri' definition 'diatomicOverlapAOs2ndDerivs'. [funcArgNamesDifferent] molds-0.3.1/src/cndo/Cndo2.h:235:57: note: Function 'CalcDiatomicOverlapAOs2ndDerivatives' argument 1 names different: declaration 'overlapAOs2ndDeri' definition 'diatomicOverlapAOs2ndDerivs'. molds-0.3.1/src/cndo/Cndo2.cpp:4313:61: note: Function 'CalcDiatomicOverlapAOs2ndDerivatives' argument 1 names different: declaration 'overlapAOs2ndDeri' definition 'diatomicOverlapAOs2ndDerivs'. molds-0.3.1/src/cndo/Cndo2.cpp:4516:44: style:inconclusive: Function 'GetGaussianOverlapAOs' argument 11 names different: declaration 'ovelapSASB' definition 'overlapSASB'. [funcArgNamesDifferent] molds-0.3.1/src/cndo/Cndo2.h:456:40: note: Function 'GetGaussianOverlapAOs' argument 11 names different: declaration 'ovelapSASB' definition 'overlapSASB'. molds-0.3.1/src/cndo/Cndo2.cpp:4516:44: note: Function 'GetGaussianOverlapAOs' argument 11 names different: declaration 'ovelapSASB' definition 'overlapSASB'. molds-0.3.1/src/cndo/Cndo2.cpp:1117:13: style: Variable 'atom' can be declared as pointer to const [constVariablePointer] molds-0.3.1/src/cndo/Cndo2.cpp:2056:11: style: Variable 'dxyz' can be declared as const array [constVariable] molds-0.3.1/src/cndo/Cndo2.cpp:4071:11: style: Variable 'cartesian' can be declared as const array [constVariable] molds-0.3.1/src/cndo/Cndo2.cpp:4341:70: style: Parameter 'cartesian' can be declared as pointer to const [constParameterPointer] molds-0.3.1/src/cndo/Cndo2.cpp:2111:56: error: Uninitialized variable: pOrbital [legacyUninitvar] molds-0.3.1/src/cndo/Cndo2.cpp:2173:56: error: Uninitialized variable: pOrbital [legacyUninitvar] molds-0.3.1/src/cndo/Cndo2.cpp:2211:45: error: Uninitialized variable: piDirection [legacyUninitvar] molds-0.3.1/src/cndo/Cndo2.cpp:2238:39: error: Uninitialized variable: piDirectionA [legacyUninitvar] molds-0.3.1/src/cndo/Cndo2.cpp:2262:39: error: Uninitialized variable: piDirectionB [legacyUninitvar] molds-0.3.1/src/cndo/Cndo2.cpp:2293:45: error: Uninitialized variable: piDirectionA [legacyUninitvar] molds-0.3.1/src/cndo/Cndo2.cpp:2295:45: error: Uninitialized variable: piDirectionB [legacyUninitvar] molds-0.3.1/src/cndo/Cndo2.cpp:2348:39: error: Uninitialized variable: anotherAxis [legacyUninitvar] molds-0.3.1/src/cndo/Cndo2.cpp:2399:21: error: Uninitialized variable: anotherAxis [legacyUninitvar] molds-0.3.1/src/cndo/Cndo2.cpp:2435:21: error: Uninitialized variable: anotherAxis1 [legacyUninitvar] molds-0.3.1/src/cndo/Cndo2.cpp:2435:40: error: Uninitialized variable: anotherAxis2 [legacyUninitvar] molds-0.3.1/src/cndo/Cndo2.cpp:2470:21: error: Uninitialized variable: anotherAxis1 [legacyUninitvar] molds-0.3.1/src/cndo/Cndo2.cpp:2470:40: error: Uninitialized variable: anotherAxis2 [legacyUninitvar] molds-0.3.1/src/cndo/Cndo2.cpp:2529:56: error: Uninitialized variable: dOrbital [legacyUninitvar] molds-0.3.1/src/cndo/Cndo2.cpp:2600:56: error: Uninitialized variable: dOrbital [legacyUninitvar] molds-0.3.1/src/cndo/Cndo2.cpp:2882:33: error: Uninitialized variable: anotherAxis [legacyUninitvar] molds-0.3.1/src/cndo/Cndo2.cpp:3051:34: error: Uninitialized variable: anotherAxis1 [legacyUninitvar] molds-0.3.1/src/cndo/Cndo2.cpp:3052:81: error: Uninitialized variable: anotherAxis2 [legacyUninitvar] molds-0.3.1/src/cndo/Cndo2.cpp:3102:34: error: Uninitialized variable: anotherAxis1 [legacyUninitvar] molds-0.3.1/src/cndo/Cndo2.cpp:3103:82: error: Uninitialized variable: anotherAxis2 [legacyUninitvar] molds-0.3.1/src/cndo/Cndo2.cpp:3479:35: error: Uninitialized variable: anotherAxis [legacyUninitvar] molds-0.3.1/src/cndo/Cndo2.cpp:3512:36: error: Uninitialized variable: anotherAxis [legacyUninitvar] molds-0.3.1/src/cndo/Cndo2.cpp:3597:35: error: Uninitialized variable: anotherAxis [legacyUninitvar] molds-0.3.1/src/cndo/Cndo2.cpp:3631:36: error: Uninitialized variable: anotherAxis [legacyUninitvar] molds-0.3.1/src/cndo/Cndo2.cpp:467:25: style: Variable 'dampingFactor' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:496:25: style: Variable 'dampingFactor' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:1153:36: style: Variable 'sqrtCoreMass' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:1972:29: style: Variable 'gaussianExponentA' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:1973:29: style: Variable 'gaussianExponentB' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:1974:23: style: Variable 'overlapSASB' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:1979:17: style: Variable 'temp' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:1980:17: style: Variable 'tempX' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:1981:17: style: Variable 'tempY' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:1982:17: style: Variable 'tempZ' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:3841:15: style: Variable 'isSymmetricOverlapAOs' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:3877:31: style: Variable 'rhsElectronicStructure' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:4085:17: style: Variable 'alpha' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:4086:17: style: Variable 'beta' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:4431:29: style: Variable 'gaussianExponentA' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:4432:29: style: Variable 'gaussianExponentB' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:4434:16: style: Variable 'temp' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5088:29: style: Variable 'gaussianExponentA' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5089:29: style: Variable 'gaussianExponentB' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5091:16: style: Variable 'temp' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5718:10: style: Variable 'm' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5719:17: style: Variable 'alpha' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5720:16: style: Variable 'beta' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5721:15: style: Variable 'pre' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5722:29: style: Variable 'reducedOverlapAOs' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5723:28: style: Variable 'orbitalExponentA' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5724:28: style: Variable 'orbitalExponentB' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5785:10: style: Variable 'm' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5786:17: style: Variable 'alpha' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5787:16: style: Variable 'beta' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5788:15: style: Variable 'pre' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5789:29: style: Variable 'reducedOverlapAOs' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5790:42: style: Variable 'reducedOverlapAOs1stDerivAlpha' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5791:41: style: Variable 'reducedOverlapAOs1stDerivBeta' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5792:28: style: Variable 'orbitalExponentA' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5793:28: style: Variable 'orbitalExponentB' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5794:16: style: Variable 'temp1' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5795:16: style: Variable 'temp2' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5875:10: style: Variable 'm' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5876:17: style: Variable 'alpha' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5877:16: style: Variable 'beta' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5878:15: style: Variable 'pre' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5879:29: style: Variable 'reducedOverlapAOs' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5880:42: style: Variable 'reducedOverlapAOs1stDerivAlpha' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5881:41: style: Variable 'reducedOverlapAOs1stDerivBeta' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5882:42: style: Variable 'reducedOverlapAOs2ndDerivAlpha' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5883:41: style: Variable 'reducedOverlapAOs2ndDerivBeta' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5884:46: style: Variable 'reducedOverlapAOs2ndDerivAlphaBeta' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5885:28: style: Variable 'orbitalExponentA' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5886:28: style: Variable 'orbitalExponentB' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5887:16: style: Variable 'temp1' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5888:16: style: Variable 'temp2' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:5889:16: style: Variable 'temp3' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:6073:10: style: Variable 'mu' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:6074:10: style: Variable 'nu' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:6094:16: style: Variable 'temp' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:6116:16: style: Variable 'temp' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:6140:17: style: Variable 'temp1' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:6141:17: style: Variable 'temp2' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:6171:17: style: Variable 'temp1' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:6172:17: style: Variable 'temp2' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:6202:17: style: Variable 'temp1' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:6203:17: style: Variable 'temp2' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:6204:17: style: Variable 'temp3' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:6236:17: style: Variable 'temp1' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:6237:17: style: Variable 'temp2' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:6238:17: style: Variable 'temp3' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:6270:17: style: Variable 'temp1' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:6271:17: style: Variable 'temp2' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:6322:16: style: Variable 'pre1' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/cndo/Cndo2.cpp:6323:16: style: Variable 'pre2' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/mndo/Mndo.h:140:11: style: Unused private function: 'Mndo::GetCISCoefficientMOEnergy' [unusedPrivateFunction] molds-0.3.1/src/mndo/Mndo.h:141:11: style: Unused private function: 'Mndo::GetCISCoefficientTwoElecIntegral' [unusedPrivateFunction] molds-0.3.1/src/mndo/Mndo.h:343:9: performance:inconclusive: Technically the member function 'MolDS_mndo::Mndo::RotateDiatomicTwoElecsTwoCoresToSpaceFrame' can be static (but you may consider moving to unnamed namespace). [functionStatic] molds-0.3.1/src/mndo/Mndo.cpp:4075:12: note: Technically the member function 'MolDS_mndo::Mndo::RotateDiatomicTwoElecsTwoCoresToSpaceFrame' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/mndo/Mndo.h:343:9: note: Technically the member function 'MolDS_mndo::Mndo::RotateDiatomicTwoElecsTwoCoresToSpaceFrame' can be static (but you may consider moving to unnamed namespace). molds-0.3.1/src/mndo/Mndo.cpp:643:23: style: Condition 'orbital1!=orbital2' is always true [knownConditionTrueFalse] molds-0.3.1/src/mndo/Mndo.cpp:1968:7: style: Throwing a copy of the caught exception instead of rethrowing the original exception. [exceptRethrowCopy] molds-0.3.1/src/mndo/Mndo.cpp:2066:7: style: Throwing a copy of the caught exception instead of rethrowing the original exception. [exceptRethrowCopy] molds-0.3.1/src/mndo/Mndo.cpp:2092:7: style: Throwing a copy of the caught exception instead of rethrowing the original exception. [exceptRethrowCopy] molds-0.3.1/src/mndo/Mndo.cpp:2295:7: style: Throwing a copy of the caught exception instead of rethrowing the original exception. [exceptRethrowCopy] molds-0.3.1/src/mndo/Mndo.cpp:4294:7: style: Throwing a copy of the caught exception instead of rethrowing the original exception. [exceptRethrowCopy] molds-0.3.1/src/mndo/Mndo.cpp:4542:7: style: Throwing a copy of the caught exception instead of rethrowing the original exception. [exceptRethrowCopy] molds-0.3.1/src/mndo/Mndo.cpp:969:10: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/mndo/Mndo.cpp:1932:10: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/mndo/Mndo.cpp:1962:4: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/mndo/Mndo.cpp:2038:10: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/mndo/Mndo.cpp:2063:4: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/mndo/Mndo.cpp:2090:4: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/mndo/Mndo.cpp:2114:7: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/mndo/Mndo.cpp:2280:4: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/mndo/Mndo.cpp:2436:7: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/mndo/Mndo.cpp:2827:10: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/mndo/Mndo.cpp:3620:13: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/mndo/Mndo.cpp:3742:13: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/mndo/Mndo.cpp:4284:4: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/mndo/Mndo.cpp:4538:4: style: Exception should be caught by reference. [catchExceptionByValue] molds-0.3.1/src/mndo/Mndo.cpp:6988:14: style: Same expression used in consecutive assignments of 'a1' and 'a2'. [duplicateAssignExpression] molds-0.3.1/src/mndo/Mndo.cpp:6989:14: note: Same expression used in consecutive assignments of 'a1' and 'a2'. molds-0.3.1/src/mndo/Mndo.cpp:6988:14: note: Same expression used in consecutive assignments of 'a1' and 'a2'. molds-0.3.1/src/mndo/Mndo.cpp:7003:14: style: Same expression used in consecutive assignments of 'f1' and 'f2'. [duplicateAssignExpression] molds-0.3.1/src/mndo/Mndo.cpp:7004:14: note: Same expression used in consecutive assignments of 'f1' and 'f2'. molds-0.3.1/src/mndo/Mndo.cpp:7003:14: note: Same expression used in consecutive assignments of 'f1' and 'f2'. molds-0.3.1/src/mndo/Mndo.cpp:7029:14: style: Same expression used in consecutive assignments of 'a1' and 'a2'. [duplicateAssignExpression] molds-0.3.1/src/mndo/Mndo.cpp:7030:14: note: Same expression used in consecutive assignments of 'a1' and 'a2'. molds-0.3.1/src/mndo/Mndo.cpp:7029:14: note: Same expression used in consecutive assignments of 'a1' and 'a2'. molds-0.3.1/src/mndo/Mndo.cpp:7030:14: style: Same expression used in consecutive assignments of 'a2' and 'a3'. [duplicateAssignExpression] molds-0.3.1/src/mndo/Mndo.cpp:7031:14: note: Same expression used in consecutive assignments of 'a2' and 'a3'. molds-0.3.1/src/mndo/Mndo.cpp:7030:14: note: Same expression used in consecutive assignments of 'a2' and 'a3'. molds-0.3.1/src/mndo/Mndo.cpp:7046:14: style: Same expression used in consecutive assignments of 'f1' and 'f2'. [duplicateAssignExpression] molds-0.3.1/src/mndo/Mndo.cpp:7047:14: note: Same expression used in consecutive assignments of 'f1' and 'f2'. molds-0.3.1/src/mndo/Mndo.cpp:7046:14: note: Same expression used in consecutive assignments of 'f1' and 'f2'. molds-0.3.1/src/mndo/Mndo.cpp:7068:14: style: Same expression used in consecutive assignments of 'a1' and 'a2'. [duplicateAssignExpression] molds-0.3.1/src/mndo/Mndo.cpp:7069:14: note: Same expression used in consecutive assignments of 'a1' and 'a2'. molds-0.3.1/src/mndo/Mndo.cpp:7068:14: note: Same expression used in consecutive assignments of 'a1' and 'a2'. molds-0.3.1/src/mndo/Mndo.cpp:7069:14: style: Same expression used in consecutive assignments of 'a2' and 'a3'. [duplicateAssignExpression] molds-0.3.1/src/mndo/Mndo.cpp:7070:14: note: Same expression used in consecutive assignments of 'a2' and 'a3'. molds-0.3.1/src/mndo/Mndo.cpp:7069:14: note: Same expression used in consecutive assignments of 'a2' and 'a3'. molds-0.3.1/src/mndo/Mndo.cpp:7070:14: style: Same expression used in consecutive assignments of 'a3' and 'a4'. [duplicateAssignExpression] molds-0.3.1/src/mndo/Mndo.cpp:7071:14: note: Same expression used in consecutive assignments of 'a3' and 'a4'. molds-0.3.1/src/mndo/Mndo.cpp:7070:14: note: Same expression used in consecutive assignments of 'a3' and 'a4'. molds-0.3.1/src/mndo/Mndo.cpp:7127:14: style: Same expression used in consecutive assignments of 'a3' and 'a4'. [duplicateAssignExpression] molds-0.3.1/src/mndo/Mndo.cpp:7128:14: note: Same expression used in consecutive assignments of 'a3' and 'a4'. molds-0.3.1/src/mndo/Mndo.cpp:7127:14: note: Same expression used in consecutive assignments of 'a3' and 'a4'. molds-0.3.1/src/mndo/Mndo.cpp:7163:14: style: Same expression used in consecutive assignments of 'a1' and 'a2'. [duplicateAssignExpression] molds-0.3.1/src/mndo/Mndo.cpp:7164:14: note: Same expression used in consecutive assignments of 'a1' and 'a2'. molds-0.3.1/src/mndo/Mndo.cpp:7163:14: note: Same expression used in consecutive assignments of 'a1' and 'a2'. molds-0.3.1/src/mndo/Mndo.cpp:7164:14: style: Same expression used in consecutive assignments of 'a2' and 'a3'. [duplicateAssignExpression] molds-0.3.1/src/mndo/Mndo.cpp:7165:14: note: Same expression used in consecutive assignments of 'a2' and 'a3'. molds-0.3.1/src/mndo/Mndo.cpp:7164:14: note: Same expression used in consecutive assignments of 'a2' and 'a3'. molds-0.3.1/src/mndo/Mndo.cpp:7165:14: style: Same expression used in consecutive assignments of 'a3' and 'a4'. [duplicateAssignExpression] molds-0.3.1/src/mndo/Mndo.cpp:7166:14: note: Same expression used in consecutive assignments of 'a3' and 'a4'. molds-0.3.1/src/mndo/Mndo.cpp:7165:14: note: Same expression used in consecutive assignments of 'a3' and 'a4'. molds-0.3.1/src/mndo/Mndo.cpp:7166:14: style: Same expression used in consecutive assignments of 'a4' and 'a5'. [duplicateAssignExpression] molds-0.3.1/src/mndo/Mndo.cpp:7167:14: note: Same expression used in consecutive assignments of 'a4' and 'a5'. molds-0.3.1/src/mndo/Mndo.cpp:7166:14: note: Same expression used in consecutive assignments of 'a4' and 'a5'. molds-0.3.1/src/mndo/Mndo.cpp:7167:14: style: Same expression used in consecutive assignments of 'a5' and 'a6'. [duplicateAssignExpression] molds-0.3.1/src/mndo/Mndo.cpp:7168:14: note: Same expression used in consecutive assignments of 'a5' and 'a6'. molds-0.3.1/src/mndo/Mndo.cpp:7167:14: note: Same expression used in consecutive assignments of 'a5' and 'a6'. molds-0.3.1/src/mndo/Mndo.cpp:7193:14: style: Same expression used in consecutive assignments of 'f1' and 'f2'. [duplicateAssignExpression] molds-0.3.1/src/mndo/Mndo.cpp:7194:14: note: Same expression used in consecutive assignments of 'f1' and 'f2'. molds-0.3.1/src/mndo/Mndo.cpp:7193:14: note: Same expression used in consecutive assignments of 'f1' and 'f2'. molds-0.3.1/src/mndo/Mndo.cpp:7194:14: style: Same expression used in consecutive assignments of 'f2' and 'f3'. [duplicateAssignExpression] molds-0.3.1/src/mndo/Mndo.cpp:7195:14: note: Same expression used in consecutive assignments of 'f2' and 'f3'. molds-0.3.1/src/mndo/Mndo.cpp:7194:14: note: Same expression used in consecutive assignments of 'f2' and 'f3'. molds-0.3.1/src/mndo/Mndo.cpp:7195:14: style: Same expression used in consecutive assignments of 'f3' and 'f4'. [duplicateAssignExpression] molds-0.3.1/src/mndo/Mndo.cpp:7196:14: note: Same expression used in consecutive assignments of 'f3' and 'f4'. molds-0.3.1/src/mndo/Mndo.cpp:7195:14: note: Same expression used in consecutive assignments of 'f3' and 'f4'. molds-0.3.1/src/mndo/Mndo.cpp:7196:14: style: Same expression used in consecutive assignments of 'f4' and 'f5'. [duplicateAssignExpression] molds-0.3.1/src/mndo/Mndo.cpp:7197:14: note: Same expression used in consecutive assignments of 'f4' and 'f5'. molds-0.3.1/src/mndo/Mndo.cpp:7196:14: note: Same expression used in consecutive assignments of 'f4' and 'f5'. molds-0.3.1/src/mndo/Mndo.cpp:7223:14: style: Same expression used in consecutive assignments of 'f1' and 'f2'. [duplicateAssignExpression] molds-0.3.1/src/mndo/Mndo.cpp:7224:14: note: Same expression used in consecutive assignments of 'f1' and 'f2'. molds-0.3.1/src/mndo/Mndo.cpp:7223:14: note: Same expression used in consecutive assignments of 'f1' and 'f2'. molds-0.3.1/src/mndo/Mndo.cpp:7224:14: style: Same expression used in consecutive assignments of 'f2' and 'f3'. [duplicateAssignExpression] molds-0.3.1/src/mndo/Mndo.cpp:7225:14: note: Same expression used in consecutive assignments of 'f2' and 'f3'. molds-0.3.1/src/mndo/Mndo.cpp:7224:14: note: Same expression used in consecutive assignments of 'f2' and 'f3'. molds-0.3.1/src/mndo/Mndo.cpp:7225:14: style: Same expression used in consecutive assignments of 'f3' and 'f4'. [duplicateAssignExpression] molds-0.3.1/src/mndo/Mndo.cpp:7226:14: note: Same expression used in consecutive assignments of 'f3' and 'f4'. molds-0.3.1/src/mndo/Mndo.cpp:7225:14: note: Same expression used in consecutive assignments of 'f3' and 'f4'. molds-0.3.1/src/mndo/Mndo.cpp:7255:14: style: Same expression used in consecutive assignments of 'f5' and 'f6'. [duplicateAssignExpression] molds-0.3.1/src/mndo/Mndo.cpp:7256:14: note: Same expression used in consecutive assignments of 'f5' and 'f6'. molds-0.3.1/src/mndo/Mndo.cpp:7255:14: note: Same expression used in consecutive assignments of 'f5' and 'f6'. molds-0.3.1/src/mndo/Mndo.cpp:7259:14: style: Same expression used in consecutive assignments of 'a3' and 'a4'. [duplicateAssignExpression] molds-0.3.1/src/mndo/Mndo.cpp:7260:14: note: Same expression used in consecutive assignments of 'a3' and 'a4'. molds-0.3.1/src/mndo/Mndo.cpp:7259:14: note: Same expression used in consecutive assignments of 'a3' and 'a4'. molds-0.3.1/src/mndo/Mndo.cpp:7305:14: style: Same expression used in consecutive assignments of 'a1' and 'a2'. [duplicateAssignExpression] molds-0.3.1/src/mndo/Mndo.cpp:7306:14: note: Same expression used in consecutive assignments of 'a1' and 'a2'. molds-0.3.1/src/mndo/Mndo.cpp:7305:14: note: Same expression used in consecutive assignments of 'a1' and 'a2'. molds-0.3.1/src/mndo/Mndo.cpp:7306:14: style: Same expression used in consecutive assignments of 'a2' and 'a3'. [duplicateAssignExpression] molds-0.3.1/src/mndo/Mndo.cpp:7307:14: note: Same expression used in consecutive assignments of 'a2' and 'a3'. molds-0.3.1/src/mndo/Mndo.cpp:7306:14: note: Same expression used in consecutive assignments of 'a2' and 'a3'. molds-0.3.1/src/mndo/Mndo.cpp:7307:14: style: Same expression used in consecutive assignments of 'a3' and 'a4'. [duplicateAssignExpression] molds-0.3.1/src/mndo/Mndo.cpp:7308:14: note: Same expression used in consecutive assignments of 'a3' and 'a4'. molds-0.3.1/src/mndo/Mndo.cpp:7307:14: note: Same expression used in consecutive assignments of 'a3' and 'a4'. molds-0.3.1/src/mndo/Mndo.cpp:7308:14: style: Same expression used in consecutive assignments of 'a4' and 'a5'. [duplicateAssignExpression] molds-0.3.1/src/mndo/Mndo.cpp:7309:14: note: Same expression used in consecutive assignments of 'a4' and 'a5'. molds-0.3.1/src/mndo/Mndo.cpp:7308:14: note: Same expression used in consecutive assignments of 'a4' and 'a5'. molds-0.3.1/src/mndo/Mndo.cpp:7309:14: style: Same expression used in consecutive assignments of 'a5' and 'a6'. [duplicateAssignExpression] molds-0.3.1/src/mndo/Mndo.cpp:7310:14: note: Same expression used in consecutive assignments of 'a5' and 'a6'. molds-0.3.1/src/mndo/Mndo.cpp:7309:14: note: Same expression used in consecutive assignments of 'a5' and 'a6'. molds-0.3.1/src/mndo/Mndo.cpp:7310:14: style: Same expression used in consecutive assignments of 'a6' and 'a7'. [duplicateAssignExpression] molds-0.3.1/src/mndo/Mndo.cpp:7311:14: note: Same expression used in consecutive assignments of 'a6' and 'a7'. molds-0.3.1/src/mndo/Mndo.cpp:7310:14: note: Same expression used in consecutive assignments of 'a6' and 'a7'. molds-0.3.1/src/mndo/Mndo.cpp:7311:14: style: Same expression used in consecutive assignments of 'a7' and 'a8'. [duplicateAssignExpression] molds-0.3.1/src/mndo/Mndo.cpp:7312:14: note: Same expression used in consecutive assignments of 'a7' and 'a8'. molds-0.3.1/src/mndo/Mndo.cpp:7311:14: note: Same expression used in consecutive assignments of 'a7' and 'a8'. molds-0.3.1/src/mndo/Mndo.cpp:7312:14: style: Same expression used in consecutive assignments of 'a8' and 'a9'. [duplicateAssignExpression] molds-0.3.1/src/mndo/Mndo.cpp:7313:14: note: Same expression used in consecutive assignments of 'a8' and 'a9'. molds-0.3.1/src/mndo/Mndo.cpp:7312:14: note: Same expression used in consecutive assignments of 'a8' and 'a9'. molds-0.3.1/src/mndo/Mndo.cpp:7384:14: style: Same expression used in consecutive assignments of 'f1' and 'f2'. [duplicateAssignExpression] molds-0.3.1/src/mndo/Mndo.cpp:7385:14: note: Same expression used in consecutive assignments of 'f1' and 'f2'. molds-0.3.1/src/mndo/Mndo.cpp:7384:14: note: Same expression used in consecutive assignments of 'f1' and 'f2'. molds-0.3.1/src/mndo/Mndo.cpp:7385:14: style: Same expression used in consecutive assignments of 'f2' and 'f3'. [duplicateAssignExpression] molds-0.3.1/src/mndo/Mndo.cpp:7386:14: note: Same expression used in consecutive assignments of 'f2' and 'f3'. molds-0.3.1/src/mndo/Mndo.cpp:7385:14: note: Same expression used in consecutive assignments of 'f2' and 'f3'. molds-0.3.1/src/mndo/Mndo.cpp:533:14: style: The scope of the variable 'coulomb' can be reduced. [variableScope] molds-0.3.1/src/mndo/Mndo.cpp:534:14: style: The scope of the variable 'exchange' can be reduced. [variableScope] molds-0.3.1/src/mndo/Mndo.cpp:2018:26: style: The scope of the variable 'moI' can be reduced. [variableScope] molds-0.3.1/src/mndo/Mndo.cpp:2018:31: style: The scope of the variable 'moJ' can be reduced. [variableScope] molds-0.3.1/src/mndo/Mndo.cpp:2019:29: style: The scope of the variable 'nI' can be reduced. [variableScope] molds-0.3.1/src/mndo/Mndo.cpp:2019:33: style: The scope of the variable 'nJ' can be reduced. [variableScope] molds-0.3.1/src/mndo/Mndo.cpp:3210:26: style: The scope of the variable 'tmpMNL13' can be reduced. [variableScope] molds-0.3.1/src/mndo/Mndo.cpp:3210:42: style: The scope of the variable 'tmpMNL14' can be reduced. [variableScope] molds-0.3.1/src/mndo/Mndo.cpp:3210:58: style: The scope of the variable 'tmpMNL15' can be reduced. [variableScope] molds-0.3.1/src/mndo/Mndo.cpp:3210:74: style: The scope of the variable 'tmpMNL16' can be reduced. [variableScope] molds-0.3.1/src/mndo/Mndo.cpp:3211:26: style: The scope of the variable 'tmpMNL17' can be reduced. [variableScope] molds-0.3.1/src/mndo/Mndo.cpp:3211:42: style: The scope of the variable 'tmpMNL18' can be reduced. [variableScope] molds-0.3.1/src/mndo/Mndo.cpp:3211:58: style: The scope of the variable 'tmpMNL19' can be reduced. [variableScope] molds-0.3.1/src/mndo/Mndo.cpp:3211:74: style: The scope of the variable 'tmpMNL20' can be reduced. [variableScope] molds-0.3.1/src/mndo/Mndo.cpp:3212:26: style: The scope of the variable 'tmpMNL21' can be reduced. [variableScope] molds-0.3.1/src/mndo/Mndo.cpp:3212:42: style: The scope of the variable 'tmpMNL22' can be reduced. [variableScope] molds-0.3.1/src/mndo/Mndo.cpp:3212:58: style: The scope of the variable 'tmpMNL23' can be reduced. [variableScope] molds-0.3.1/src/mndo/Mndo.cpp:3212:74: style: The scope of the variable 'tmpMNL24' can be reduced. [variableScope] molds-0.3.1/src/mndo/Mndo.cpp:3254:26: style: The scope of the variable 'sigmaOffSet' can be reduced. [variableScope] molds-0.3.1/src/mndo/Mndo.cpp:4156:8: style: The scope of the variable 'incrementOne' can be reduced. [variableScope] molds-0.3.1/src/mndo/Mndo.cpp:4157:9: style: The scope of the variable 'isColumnMajorTwiceRotatingMatrix' can be reduced. [variableScope] molds-0.3.1/src/mndo/Mndo.cpp:4158:9: style: The scope of the variable 'isColumnMajorOldMatrix' can be reduced. [variableScope] molds-0.3.1/src/mndo/Mndo.cpp:4159:11: style: The scope of the variable 'alpha' can be reduced. [variableScope] molds-0.3.1/src/mndo/Mndo.cpp:4160:11: style: The scope of the variable 'beta' can be reduced. [variableScope] molds-0.3.1/src/mndo/Mndo.cpp:516:57: style:inconclusive: Function 'GetFockOffDiagElement' argument 9 names different: declaration 'overelap' definition 'overlapAOs'. [funcArgNamesDifferent] molds-0.3.1/src/mndo/Mndo.h:80:62: note: Function 'GetFockOffDiagElement' argument 9 names different: declaration 'overelap' definition 'overlapAOs'. molds-0.3.1/src/mndo/Mndo.cpp:516:57: note: Function 'GetFockOffDiagElement' argument 9 names different: declaration 'overelap' definition 'overlapAOs'. molds-0.3.1/src/mndo/Mndo.cpp:1994:67: style:inconclusive: Function 'CalcOrbitalElectronPopulation1stDerivatives' argument 1 names different: declaration 'orbitalElectronPopulation1stDerivatives' definition 'orbitalElectronPopulation1stDerivs'. [funcArgNamesDifferent] molds-0.3.1/src/mndo/Mndo.h:273:64: note: Function 'CalcOrbitalElectronPopulation1stDerivatives' argument 1 names different: declaration 'orbitalElectronPopulation1stDerivatives' definition 'orbitalElectronPopulation1stDerivs'. molds-0.3.1/src/mndo/Mndo.cpp:1994:67: note: Function 'CalcOrbitalElectronPopulation1stDerivatives' argument 1 names different: declaration 'orbitalElectronPopulation1stDerivatives' definition 'orbitalElectronPopulation1stDerivs'. molds-0.3.1/src/mndo/Mndo.cpp:2324:64: style:inconclusive: Function 'MallocTempMatricesStaticFirstOrderFock' argument 5 names different: declaration 'tmpDiatomicTwoElecTwo' definition 'tmpDiatomicTwoElecsTwoCores'. [funcArgNamesDifferent] molds-0.3.1/src/mndo/Mndo.h:289:61: note: Function 'MallocTempMatricesStaticFirstOrderFock' argument 5 names different: declaration 'tmpDiatomicTwoElecTwo' definition 'tmpDiatomicTwoElecsTwoCores'. molds-0.3.1/src/mndo/Mndo.cpp:2324:64: note: Function 'MallocTempMatricesStaticFirstOrderFock' argument 5 names different: declaration 'tmpDiatomicTwoElecTwo' definition 'tmpDiatomicTwoElecsTwoCores'. molds-0.3.1/src/mndo/Mndo.cpp:2353:62: style:inconclusive: Function 'FreeTempMatricesStaticFirstOrderFock' argument 5 names different: declaration 'tmpDiatomicTwoElecTwo' definition 'tmpDiatomicTwoElecsTwoCores'. [funcArgNamesDifferent] molds-0.3.1/src/mndo/Mndo.h:294:59: note: Function 'FreeTempMatricesStaticFirstOrderFock' argument 5 names different: declaration 'tmpDiatomicTwoElecTwo' definition 'tmpDiatomicTwoElecsTwoCores'. molds-0.3.1/src/mndo/Mndo.cpp:2353:62: note: Function 'FreeTempMatricesStaticFirstOrderFock' argument 5 names different: declaration 'tmpDiatomicTwoElecTwo' definition 'tmpDiatomicTwoElecsTwoCores'. molds-0.3.1/src/mndo/Mndo.cpp:533:22: style: Variable 'coulomb' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/mndo/Mndo.cpp:534:23: style: Variable 'exchange' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/mndo/Mndo.cpp:724:23: style: Variable 'gamma' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/mndo/Mndo.cpp:730:50: style: Variable 'orbitalSigma' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/mndo/Mndo.cpp:3210:35: style: Variable 'tmpMNL13' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/mndo/Mndo.cpp:3210:51: style: Variable 'tmpMNL14' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/mndo/Mndo.cpp:3210:67: style: Variable 'tmpMNL15' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/mndo/Mndo.cpp:3210:83: style: Variable 'tmpMNL16' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/mndo/Mndo.cpp:3211:35: style: Variable 'tmpMNL17' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/mndo/Mndo.cpp:3211:51: style: Variable 'tmpMNL18' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/mndo/Mndo.cpp:3211:67: style: Variable 'tmpMNL19' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/mndo/Mndo.cpp:3211:83: style: Variable 'tmpMNL20' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/mndo/Mndo.cpp:3212:35: style: Variable 'tmpMNL21' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/mndo/Mndo.cpp:3212:51: style: Variable 'tmpMNL22' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/mndo/Mndo.cpp:3212:67: style: Variable 'tmpMNL23' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/mndo/Mndo.cpp:3212:83: style: Variable 'tmpMNL24' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/mndo/Mndo.cpp:3574:8: style: Variable 'mpiHeadRank' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/mndo/Mndo.cpp:3693:8: style: Variable 'mpiHeadRank' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/mndo/Mndo.cpp:5523:19: style: Variable 'deriv1st' is assigned a value that is never used. [unreadVariable] molds-0.3.1/src/mndo/Mndo.cpp:5524:19: style: Variable 'deriv2nd' is assigned a value that is never used. [unreadVariable] diff: 2.16.0 molds-0.3.1/src/Main.cpp:47:15: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable cout [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/Main.cpp:47:15: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable cout [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/GTOExpansionSTO.cpp:100:77: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/GTOExpansionSTO.cpp:100:77: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/GTOExpansionSTO.cpp:77:77: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/GTOExpansionSTO.cpp:77:77: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/InputParser.cpp:1376:66: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/InputParser.cpp:1376:66: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/InputParser.cpp:1442:66: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/InputParser.cpp:1442:66: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/InputParser.cpp:1469:64: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/InputParser.cpp:1469:64: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/InputParser.cpp:1497:66: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/InputParser.cpp:1497:66: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/InputParser.cpp:1522:66: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/InputParser.cpp:1522:66: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/InputParser.cpp:1560:64: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/InputParser.cpp:1560:64: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/InputParser.cpp:1586:66: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/InputParser.cpp:1586:66: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/InputParser.cpp:410:59: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/InputParser.cpp:410:59: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/InputParser.cpp:419:18: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable cin [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/InputParser.cpp:419:18: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable cin [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/InputParser.cpp:430:56: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/InputParser.cpp:430:56: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/MallocerFreer.h:154:7: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable T [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/MallocerFreer.h:154:7: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable T [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/MallocerFreer.h:183:7: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable T [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/MallocerFreer.h:183:7: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable T [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/MallocerFreer.h:200:7: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable T [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/MallocerFreer.h:200:7: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable T [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/MallocerFreer.h:230:7: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable T [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/MallocerFreer.h:230:7: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable T [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/MallocerFreer.h:247:7: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable T [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/MallocerFreer.h:247:7: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable T [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/MallocerFreer.h:278:7: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable T [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/MallocerFreer.h:278:7: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable T [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/MallocerFreer.h:295:7: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable T [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/MallocerFreer.h:295:7: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable T [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/MallocerFreer.h:327:7: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable T [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/MallocerFreer.h:327:7: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable T [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/MallocerFreer.h:36:21: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable T [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/MallocerFreer.h:36:21: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable T [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/MallocerFreer.h:56:41: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable T [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/MallocerFreer.h:56:41: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable T [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/MolDSException.cpp:104:13: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/MolDSException.cpp:104:13: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/MolDSException.cpp:133:28: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable value [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/MolDSException.cpp:133:28: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable value [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/PrintController.cpp:62:7: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable cout [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/PrintController.cpp:62:7: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable cout [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/Utilities.cpp:48:87: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable CLOCKS_PER_SEC [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/Utilities.cpp:48:87: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable CLOCKS_PER_SEC [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/atoms/Atom.cpp:1108:74: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/atoms/Atom.cpp:1108:74: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/atoms/Atom.cpp:184:74: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/atoms/Atom.cpp:184:74: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/atoms/Atom.cpp:251:77: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/atoms/Atom.cpp:251:77: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/atoms/Atom.cpp:497:74: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/atoms/Atom.cpp:497:74: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/atoms/Atom.cpp:529:74: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/atoms/Atom.cpp:529:74: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/atoms/Atom.cpp:562:74: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/atoms/Atom.cpp:562:74: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/atoms/Atom.cpp:582:74: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/atoms/Atom.cpp:582:74: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/atoms/Atom.cpp:602:74: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/atoms/Atom.cpp:602:74: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/atoms/Atom.cpp:622:74: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/atoms/Atom.cpp:622:74: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/atoms/Atom.cpp:642:74: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/atoms/Atom.cpp:642:74: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/atoms/Atom.cpp:662:74: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/atoms/Atom.cpp:662:74: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/atoms/Atom.cpp:682:74: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/atoms/Atom.cpp:682:74: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/atoms/Atom.cpp:741:82: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/atoms/Atom.cpp:741:82: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/atoms/Atom.cpp:790:82: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/atoms/Atom.cpp:790:82: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/atoms/Atom.cpp:838:51: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/atoms/Atom.cpp:838:51: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/atoms/Atom.cpp:864:51: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/atoms/Atom.cpp:864:51: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/atoms/Atom.cpp:890:51: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/atoms/Atom.cpp:890:51: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/atoms/Atom.cpp:902:53: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/atoms/Atom.cpp:902:53: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/atoms/Atom.cpp:914:53: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/atoms/Atom.cpp:914:53: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/factories/AtomFactory.cpp:75:55: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/factories/AtomFactory.cpp:75:55: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/factories/AtomFactory.cpp:91:69: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/factories/AtomFactory.cpp:91:69: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/factories/ElectronicStructureFactory.cpp:89:72: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/factories/ElectronicStructureFactory.cpp:89:72: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/factories/OptimizerFactory.cpp:70:74: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/factories/OptimizerFactory.cpp:70:74: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/loggers/DensityLogger.cpp:148:32: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/loggers/DensityLogger.cpp:148:32: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/base/loggers/DensityLogger.cpp:84:45: performance: Function parameter 'elecStateIndeces' should be passed by const reference. [passedByValue] 2.16.0 molds-0.3.1/src/base/loggers/MOLogger.cpp:127:29: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/base/loggers/MOLogger.cpp:127:29: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/cndo/Cndo2.cpp:1238:8: style: The scope of the variable 'totalNumberAOs' can be reduced. [variableScope] 2.16.0 molds-0.3.1/src/cndo/Cndo2.cpp:1832:52: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/cndo/Cndo2.cpp:1832:52: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/cndo/Cndo2.cpp:342:71: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/cndo/Cndo2.cpp:342:71: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/cndo/Cndo2.cpp:3773:69: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/cndo/Cndo2.cpp:3773:69: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/cndo/Cndo2.cpp:3803:73: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/cndo/Cndo2.cpp:3803:73: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/cndo/Cndo2.cpp:5051:69: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/cndo/Cndo2.cpp:5051:69: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/cndo/Cndo2.cpp:5389:69: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/cndo/Cndo2.cpp:5389:69: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/cndo/Cndo2.cpp:745:82: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/cndo/Cndo2.cpp:745:82: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/mc/MC.cpp:164:44: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable realRand [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/mc/MC.cpp:164:44: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable realRand [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/mc/MC.cpp:206:25: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable realRand [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/mc/MC.cpp:206:25: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable realRand [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/md/MD.cpp:253:74: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/md/MD.cpp:253:74: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/mndo/Mndo.cpp:2023:55: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable moI [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/mndo/Mndo.cpp:2023:55: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable moI [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/mndo/Mndo.cpp:2195:49: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable moI [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/mndo/Mndo.cpp:2195:49: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable moI [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/mndo/Mndo.cpp:2394:50: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable moI [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/mndo/Mndo.cpp:2394:50: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable moI [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/mndo/Mndo.cpp:3812:79: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/mndo/Mndo.cpp:3812:79: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/mndo/Mndo.cpp:3917:76: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/mndo/Mndo.cpp:3917:76: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/mndo/Mndo.cpp:4001:76: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/mndo/Mndo.cpp:4001:76: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/mndo/Mndo.cpp:4757:76: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/mndo/Mndo.cpp:4757:76: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/mndo/Mndo.cpp:5494:76: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/mndo/Mndo.cpp:5494:76: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/mndo/Mndo.cpp:6429:76: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/mndo/Mndo.cpp:6429:76: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/mndo/Mndo.cpp:6468:76: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/mndo/Mndo.cpp:6468:76: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/mndo/Mndo.cpp:6952:77: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/mndo/Mndo.cpp:6952:77: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/mndo/Mndo.cpp:7400:77: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/mndo/Mndo.cpp:7400:77: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/mpi/MpiProcess.h:134:58: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable T [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/mpi/MpiProcess.h:134:58: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable T [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/nasco/NASCO.cpp:217:66: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable realRand [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/nasco/NASCO.cpp:217:66: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable realRand [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/nasco/NASCO.cpp:324:74: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/nasco/NASCO.cpp:324:74: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/optimization/Optimizer.cpp:127:74: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/optimization/Optimizer.cpp:127:74: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/optimization/Optimizer.cpp:83:59: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/optimization/Optimizer.cpp:83:59: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/rpmd/RPMD.cpp:365:74: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/rpmd/RPMD.cpp:365:74: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/tools/deriveParametersNDDO/deriveParametersNDDO.cpp:140:4: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable cout [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/tools/deriveParametersNDDO/deriveParametersNDDO.cpp:140:4: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable cout [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/tools/paramYZ/paramYZ.cpp:91:7: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable cout [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/tools/paramYZ/paramYZ.cpp:91:7: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable cout [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/wrappers/Blas.cpp:185:16: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable CblasNoTrans [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/wrappers/Blas.cpp:185:16: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable CblasNoTrans [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/wrappers/Blas.cpp:220:21: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable CblasUpper [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/wrappers/Blas.cpp:220:21: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable CblasUpper [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/wrappers/Blas.cpp:240:21: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable CblasUpper [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/wrappers/Blas.cpp:240:21: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable CblasUpper [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/wrappers/Blas.cpp:358:16: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable CblasNoTrans [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/wrappers/Blas.cpp:358:16: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable CblasNoTrans [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/wrappers/Blas.cpp:540:64: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable CblasRowMajor [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/wrappers/Blas.cpp:540:64: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable CblasRowMajor [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/wrappers/Lapack.cpp:114:26: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable LAPACK_ROW_MAJOR [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/wrappers/Lapack.cpp:114:26: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable LAPACK_ROW_MAJOR [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/wrappers/Lapack.cpp:186:25: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable LAPACK_ROW_MAJOR [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/wrappers/Lapack.cpp:186:25: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable LAPACK_ROW_MAJOR [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/wrappers/Lapack.cpp:236:29: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable LAPACK_ROW_MAJOR [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/wrappers/Lapack.cpp:236:29: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable LAPACK_ROW_MAJOR [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/wrappers/Lapack.cpp:286:26: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable LAPACK_ROW_MAJOR [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/wrappers/Lapack.cpp:286:26: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable LAPACK_ROW_MAJOR [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/zindo/ZindoS.cpp:1421:52: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/zindo/ZindoS.cpp:1421:52: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable endl [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/zindo/ZindoS.cpp:1810:91: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable coefficient [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/zindo/ZindoS.cpp:1810:91: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable coefficient [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/zindo/ZindoS.cpp:2161:43: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable slaterIndex [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/zindo/ZindoS.cpp:2161:43: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable slaterIndex [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/zindo/ZindoS.cpp:2372:20: style: The scope of the variable 'moJ' can be reduced. [variableScope] 2.16.0 molds-0.3.1/src/zindo/ZindoS.cpp:2373:20: style: The scope of the variable 'moB' can be reduced. [variableScope] 2.16.0 molds-0.3.1/src/zindo/ZindoS.cpp:2894:41: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable moI [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/zindo/ZindoS.cpp:2894:41: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable moI [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/zindo/ZindoS.cpp:3052:44: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable moI [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/zindo/ZindoS.cpp:3052:44: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable moI [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/zindo/ZindoS.cpp:3300:47: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable moI [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/zindo/ZindoS.cpp:3300:47: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable moI [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/zindo/ZindoS.cpp:3332:44: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable moI [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/zindo/ZindoS.cpp:3332:44: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable moI [valueFlowBailoutIncompleteVar] 2.16.0 molds-0.3.1/src/zindo/ZindoS.cpp:3393:44: debug: analyzeConditionExpressions bailout: Skipping function due to incomplete variable moI [valueFlowBailoutIncompleteVar] head molds-0.3.1/src/zindo/ZindoS.cpp:3393:44: debug: valueFlowConditionExpressions bailout: Skipping function due to incomplete variable moI [valueFlowBailoutIncompleteVar] DONE