2022-06-25 20:01
ftp://ftp.de.debian.org/debian/pool/main/v/votca-xtp/votca-xtp_1.6.4.orig.tar.gz
cppcheck-options: --library=posix --library=gnu  --showtime=top5 --check-library --inconclusive --enable=style,information --inline-suppr --template=daca2 -D__GNUC__ --platform=unix64 -rp=temp -j4
platform: Linux-5.10.0-15-amd64-x86_64-with-glibc2.31
python: 3.9.2
client-version: 1.3.25
compiler: g++ (Debian 10.2.1-6) 10.2.1 20210110
cppcheck: head 2.8
head-info: 242afc3 (2022-06-25 21:42:55 +0200)
count: 191 184
elapsed-time: 466.5 241.9
head-timing-info:
 Overall time: 0s

old-timing-info:
 Overall time: 0s

head results:
xtp-1.6.4/src/libxtp/aoshell.cc:32:15: style: Variable 'numsubshell' can be declared as reference to const [constVariable]
xtp-1.6.4/src/libxtp/bfgs-trm.cc:33:14: style: Variable 'func' can be declared as reference to const [constVariable]
xtp-1.6.4/src/libxtp/bfgs-trm.cc:62:16: style: Variable 'func' can be declared as reference to const [constVariable]
xtp-1.6.4/src/libxtp/calculators/eanalyze.h:38:3: warning: Member variable 'EAnalyze::_resolution_pairs' is not initialized in the constructor. [uninitMemberVar]
xtp-1.6.4/src/libxtp/calculators/eanalyze.h:38:3: warning: Member variable 'EAnalyze::_resolution_sites' is not initialized in the constructor. [uninitMemberVar]
xtp-1.6.4/src/libxtp/calculators/eanalyze.h:38:3: warning: Member variable 'EAnalyze::_resolution_space' is not initialized in the constructor. [uninitMemberVar]
xtp-1.6.4/src/libxtp/calculators/eanalyze.h:38:3: warning: Member variable 'EAnalyze::_doenergy_landscape' is not initialized in the constructor. [uninitMemberVar]
xtp-1.6.4/src/libxtp/calculators/eanalyze.cc:58:15: style: Consider using std::transform algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/calculators/eanalyze.cc:154:8: style: Consider using std::transform algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/calculators/eanalyze.cc:258:8: style: Consider using std::transform algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/calculators/eanalyze.cc:312:12: style: Consider using std::accumulate algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/calculators/ianalyze.h:30:1: style: The class 'IAnalyze' does not declare a constructor although it has private member variables which likely require initialization. [noConstructor]
xtp-1.6.4/src/libxtp/calculators/ianalyze.cc:30:44: style:inconclusive: Function 'Initialize' argument 1 names different: declaration 'options' definition 'opt'. [funcArgNamesDifferent]
xtp-1.6.4/src/libxtp/calculators/ianalyze.h:34:36: note: Function 'Initialize' argument 1 names different: declaration 'options' definition 'opt'.
xtp-1.6.4/src/libxtp/calculators/ianalyze.cc:30:44: note: Function 'Initialize' argument 1 names different: declaration 'options' definition 'opt'.
xtp-1.6.4/src/libxtp/calculators/ianalyze.cc:107:13: style: Variable 'nblist' can be declared as reference to const [constVariable]
xtp-1.6.4/src/libxtp/calculators/ianalyze.cc:41:15: style: Consider using std::transform algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/calculators/kmclifetime.cc:209:17: portability: Non reentrant function 'localtime' called. For threadsafe applications it is recommended to use the reentrant replacement function 'localtime_r'. [prohibitedlocaltimeCalled]
xtp-1.6.4/src/libxtp/calculators/kmclifetime.cc:210:53: style: Obsolete function 'asctime' called. It is recommended to use 'strftime' instead. [prohibitedasctimeCalled]
xtp-1.6.4/src/libxtp/calculators/kmclifetime.cc:381:17: portability: Non reentrant function 'localtime' called. For threadsafe applications it is recommended to use the reentrant replacement function 'localtime_r'. [prohibitedlocaltimeCalled]
xtp-1.6.4/src/libxtp/calculators/kmclifetime.cc:384:41: style: Obsolete function 'asctime' called. It is recommended to use 'strftime' instead. [prohibitedasctimeCalled]
xtp-1.6.4/src/libxtp/calculators/kmclifetime.h:30:3: warning: Member variable 'KMCLifetime::_do_carrierenergy' is not initialized in the constructor. [uninitMemberVar]
xtp-1.6.4/src/libxtp/calculators/kmclifetime.h:30:3: warning: Member variable 'KMCLifetime::_alpha' is not initialized in the constructor. [uninitMemberVar]
xtp-1.6.4/src/libxtp/calculators/kmclifetime.h:30:3: warning: Member variable 'KMCLifetime::_outputsteps' is not initialized in the constructor. [uninitMemberVar]
xtp-1.6.4/src/libxtp/calculators/kmclifetime.h:30:3: warning: Member variable 'KMCLifetime::_insertions' is not initialized in the constructor. [uninitMemberVar]
xtp-1.6.4/src/libxtp/calculators/kmclifetime.cc:149:52: style:inconclusive: Function 'WriteToTraj' argument 4 names different: declaration 'carrier' definition 'affectedcarrier'. [funcArgNamesDifferent]
xtp-1.6.4/src/libxtp/calculators/kmclifetime.h:42:41: note: Function 'WriteToTraj' argument 4 names different: declaration 'carrier' definition 'affectedcarrier'.
xtp-1.6.4/src/libxtp/calculators/kmclifetime.cc:149:52: note: Function 'WriteToTraj' argument 4 names different: declaration 'carrier' definition 'affectedcarrier'.
xtp-1.6.4/src/libxtp/calculators/kmclifetime.cc:232:22: style: Consider using std::accumulate algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/calculators/neighborlist.h:33:1: style: The class 'Neighborlist' does not declare a constructor although it has private member variables which likely require initialization. [noConstructor]
xtp-1.6.4/src/libxtp/calculators/kmcmultiple.h:29:3: warning: Member variable 'KMCMultiple::_runtime' is not initialized in the constructor. [uninitMemberVar]
xtp-1.6.4/src/libxtp/calculators/kmcmultiple.h:29:3: warning: Member variable 'KMCMultiple::_outputtime' is not initialized in the constructor. [uninitMemberVar]
xtp-1.6.4/src/libxtp/calculators/kmcmultiple.cc:98:62: style: Parameter 'startposition' can be declared as reference to const [constParameter]
xtp-1.6.4/src/libxtp/calculators/kmcmultiple.cc:323:22: style: Consider using std::accumulate algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/calculators/kmcmultiple.cc:396:28: style: Consider using std::accumulate algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/cubefile_writer.cc:61:10: style: Consider using std::accumulate algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/classicalsegment.cc:146:7: style: Consider using std::accumulate algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/dftengine/dftengine.cc:868:19: style: Variable 'SubshellFunc' can be declared as reference to const [constVariable]
xtp-1.6.4/src/libxtp/dftengine/dftengine.cc:797:17: style: Consider using std::accumulate algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/espfit.cc:91:12: style: Consider using std::accumulate algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/calculators/mapchecker.h:88:12: style: Consider using std::transform algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/jobcalculators/eqm.h:41:1: style: The class 'EQM' does not declare a constructor although it has private member variables which likely require initialization. [noConstructor]
xtp-1.6.4/src/libxtp/jobcalculators/iexcitoncl.h:42:1: style: The class 'IEXCITON' does not declare a constructor although it has private member variables which likely require initialization. [noConstructor]
xtp-1.6.4/src/libxtp/tools/dftgwbse.h:33:3: warning: Member variable 'DftGwBse::_do_guess' is not initialized in the constructor. [uninitMemberVar]
xtp-1.6.4/src/libxtp/tools/dftgwbse.h:33:3: warning: Member variable 'DftGwBse::_do_external' is not initialized in the constructor. [uninitMemberVar]
xtp-1.6.4/src/libxtp/tools/dftgwbse.h:33:3: warning: Member variable 'DftGwBse::_do_optimize' is not initialized in the constructor. [uninitMemberVar]
xtp-1.6.4/src/libxtp/tools/excitoncoupling.h:38:1: style: The class 'ExcitonCoupling' does not declare a constructor although it has private member variables which likely require initialization. [noConstructor]
xtp-1.6.4/src/libxtp/tools/gencube.h:34:3: warning: Member variable 'GenCube::_dostateonly' is not initialized in the constructor. [uninitMemberVar]
xtp-1.6.4/src/libxtp/tools/gencube.h:34:3: warning: Member variable 'GenCube::_padding' is not initialized in the constructor. [uninitMemberVar]
xtp-1.6.4/src/libxtp/tools/spectrum.h:36:3: warning: Member variable 'Spectrum::_upper' is not initialized in the constructor. [uninitMemberVar]
xtp-1.6.4/src/libxtp/tools/spectrum.h:36:3: warning: Member variable 'Spectrum::_fwhm' is not initialized in the constructor. [uninitMemberVar]
xtp-1.6.4/src/libxtp/tools/excitoncoupling.h:128:12: style: Condition '_classical' is always true [knownConditionTrueFalse]
xtp-1.6.4/src/libxtp/tools/excitoncoupling.h:99:7: note: Assuming that condition '!_classical' is not redundant
xtp-1.6.4/src/libxtp/tools/excitoncoupling.h:128:12: note: Condition '_classical' is always true
xtp-1.6.4/src/libxtp/tools/log2mps.h:48:43: style:inconclusive: Function 'Initialize' argument 1 names different: declaration 'options' definition 'opt'. [funcArgNamesDifferent]
xtp-1.6.4/src/libxtp/tools/log2mps.h:39:36: note: Function 'Initialize' argument 1 names different: declaration 'options' definition 'opt'.
xtp-1.6.4/src/libxtp/tools/log2mps.h:48:43: note: Function 'Initialize' argument 1 names different: declaration 'options' definition 'opt'.
xtp-1.6.4/src/libxtp/gnode.cc:55:8: style: Redundant initialization for 'dr'. The initialized value is overwritten before it is read. [redundantInitialization]
xtp-1.6.4/src/libxtp/gnode.cc:52:22: note: dr is initialized
xtp-1.6.4/src/libxtp/gnode.cc:55:8: note: dr is overwritten
xtp-1.6.4/src/libxtp/grids/radial_euler_maclaurin_rule.cc:249:11: style: Variable 'value' is reassigned a value before the old one has been used. [redundantAssignment]
xtp-1.6.4/src/libxtp/grids/radial_euler_maclaurin_rule.cc:243:13: note: value is assigned
xtp-1.6.4/src/libxtp/grids/radial_euler_maclaurin_rule.cc:249:11: note: value is overwritten
xtp-1.6.4/src/libxtp/grids/radial_euler_maclaurin_rule.cc:275:3: style: Consecutive return, break, continue, goto or throw statements are unnecessary. [duplicateBreak]
xtp-1.6.4/src/libxtp/grids/sphere_lebedev_rule.cc:89:3: style: Consecutive return, break, continue, goto or throw statements are unnecessary. [duplicateBreak]
xtp-1.6.4/src/libxtp/grids/vxc_grid.cc:169:19: style: Condition 'r>=PruningIntervals[0]' is always true [knownConditionTrueFalse]
xtp-1.6.4/src/libxtp/grids/vxc_grid.cc:167:11: note: Assuming that condition 'r<PruningIntervals[0]' is not redundant
xtp-1.6.4/src/libxtp/grids/vxc_grid.cc:169:19: note: Condition 'r>=PruningIntervals[0]' is always true
xtp-1.6.4/src/libxtp/grids/vxc_grid.cc:178:19: style: Condition 'r>=PruningIntervals[0]' is always true [knownConditionTrueFalse]
xtp-1.6.4/src/libxtp/grids/vxc_grid.cc:176:11: note: Assuming that condition 'r<PruningIntervals[0]' is not redundant
xtp-1.6.4/src/libxtp/grids/vxc_grid.cc:178:19: note: Condition 'r>=PruningIntervals[0]' is always true
xtp-1.6.4/src/libxtp/gwbse/rpa.cc:77:12: style: Consider using std::accumulate algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/gwbse/gwbse.cc:132:65: warning: Identical inner 'if' condition is always true. [identicalInnerCondition]
xtp-1.6.4/src/libxtp/gwbse/gwbse.cc:121:63: note: outer condition: ignore_corelevels=="RPA"||ignore_corelevels=="GW"||ignore_corelevels=="BSE"
xtp-1.6.4/src/libxtp/gwbse/gwbse.cc:132:65: note: identical inner condition: ignore_corelevels=="GW"||ignore_corelevels=="RPA"||ignore_corelevels=="BSE"
xtp-1.6.4/src/libxtp/job.cc:188:10: style: Consider using std::transform algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/jobcalculators/eqm.cc:138:70: style:inconclusive: Function 'EvalJob' argument 3 names different: declaration 'thread' definition 'opThread'. [funcArgNamesDifferent]
xtp-1.6.4/src/libxtp/jobcalculators/eqm.h:46:36: note: Function 'EvalJob' argument 3 names different: declaration 'thread' definition 'opThread'.
xtp-1.6.4/src/libxtp/jobcalculators/eqm.cc:138:70: note: Function 'EvalJob' argument 3 names different: declaration 'thread' definition 'opThread'.
xtp-1.6.4/src/libxtp/jobcalculators/eqm.cc:128:65: style: Parameter 'logger' can be declared as reference to const [constParameter]
xtp-1.6.4/src/libxtp/jobcalculators/iexcitoncl.cc:77:44: style:inconclusive: Function 'EvalJob' argument 3 names different: declaration 'Thread' definition 'opThread'. [funcArgNamesDifferent]
xtp-1.6.4/src/libxtp/jobcalculators/iexcitoncl.h:49:36: note: Function 'EvalJob' argument 3 names different: declaration 'Thread' definition 'opThread'.
xtp-1.6.4/src/libxtp/jobcalculators/iexcitoncl.cc:77:44: note: Function 'EvalJob' argument 3 names different: declaration 'Thread' definition 'opThread'.
xtp-1.6.4/src/libxtp/jobcalculators/iexcitoncl.cc:153:20: style: Consider using std::accumulate algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/jobcalculators/iexcitoncl.cc:239:12: style: Consider using std::fill or std::generate algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/jobcalculators/qmmm.cc:229:8: style: Local variable 'hasQMRegion' shadows outer function [shadowFunction]
xtp-1.6.4/src/libxtp/jobcalculators/qmmm.h:47:8: note: Shadowed declaration
xtp-1.6.4/src/libxtp/jobcalculators/qmmm.cc:229:8: note: Shadow variable
xtp-1.6.4/src/libxtp/jobcalculators/qmmm.cc:58:15: style: Consider using std::transform algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/jobcalculators/qmmm.cc:63:27: style: Consider using std::any_of, std::all_of, std::none_of, or std::accumulate algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/jobcalculators/qmmm.cc:144:27: style: Consider using std::transform algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/jobcalculators/qmmm.cc:149:14: style: Consider using std::accumulate algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/jobcalculators/iqm.cc:203:70: style:inconclusive: Function 'EvalJob' argument 3 names different: declaration 'Thread' definition 'opThread'. [funcArgNamesDifferent]
xtp-1.6.4/src/libxtp/jobcalculators/iqm.h:52:36: note: Function 'EvalJob' argument 3 names different: declaration 'Thread' definition 'opThread'.
xtp-1.6.4/src/libxtp/jobcalculators/iqm.cc:203:70: note: Function 'EvalJob' argument 3 names different: declaration 'Thread' definition 'opThread'.
xtp-1.6.4/src/libxtp/jobcalculators/iqm.cc:193:65: style: Parameter 'logger' can be declared as reference to const [constParameter]
xtp-1.6.4/src/libxtp/jobcalculators/iqm.cc:695:20: style: Consider using std::accumulate algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/jobcalculators/iqm.cc:740:10: style: Consider using std::transform algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/jobcalculators/iqm.cc:165:24: style: Unused variable: result [unusedVariable]
xtp-1.6.4/src/libxtp/jobcalculators/iqm.cc:223:15: style: Variable 'type_A' is assigned a value that is never used. [unreadVariable]
xtp-1.6.4/src/libxtp/jobcalculators/iqm.cc:225:15: style: Variable 'type_B' is assigned a value that is never used. [unreadVariable]
xtp-1.6.4/src/libxtp/kmccalculator.cc:173:25: style: Consider using std::any_of algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/kmccalculator.cc:187:44: style: Consider using std::any_of algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/mmregion.cc:30:14: style: Consider using std::accumulate algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/parallelxjobcalc.cc:55:22: style: Local variable 'jobOps' shadows outer variable [shadowVariable]
xtp-1.6.4/src/libxtp/parallelxjobcalc.cc:47:45: note: Shadowed declaration
xtp-1.6.4/src/libxtp/parallelxjobcalc.cc:55:22: note: Shadow variable
xtp-1.6.4/src/libxtp/orbitals.cc:580:32: style: Variable 'e' can be declared as reference to const [constVariable]
xtp-1.6.4/src/libxtp/orbitals.cc:137:18: style: Consider using std::accumulate algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/polarregion.cc:179:24: style: Variable 'seg' can be declared as reference to const [constVariable]
xtp-1.6.4/src/libxtp/polarregion.cc:188:22: style: Variable 'seg' can be declared as reference to const [constVariable]
xtp-1.6.4/src/libxtp/polarregion.cc:123:9: style: Consider using std::accumulate algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/polarregion.cc:160:22: style: Consider using std::accumulate algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/progressobserver.cc:291:15: style: Consider using std::accumulate algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/progressobserver.cc:298:15: style: Consider using std::accumulate algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/qmpackages/gaussian.cc:583:47: style: Consider using std::any_of algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/qmpackages/gaussian.cc:843:28: style: Unused variable: results [unusedVariable]
xtp-1.6.4/src/libxtp/qmregion.cc:211:3: style: Consecutive return, break, continue, goto or throw statements are unnecessary. [duplicateBreak]
xtp-1.6.4/src/libxtp/qmregion.cc:163:17: style: Consider using std::accumulate algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/qmpackages/orca.cc:749:20: style: C-style pointer casting [cstyleCast]
xtp-1.6.4/src/libxtp/qmpackages/orca.cc:757:19: style: C-style pointer casting [cstyleCast]
xtp-1.6.4/src/libxtp/qmpackages/orca.cc:764:20: style: C-style pointer casting [cstyleCast]
xtp-1.6.4/src/libxtp/qmpackages/orca.cc:775:24: style: C-style pointer casting [cstyleCast]
xtp-1.6.4/src/libxtp/qmpackages/orca.cc:775:24: portability: Casting between char * and double * which have an incompatible binary data representation. [invalidPointerCast]
xtp-1.6.4/src/libxtp/qmpackages/orca.cc:68:66: style:inconclusive: Function 'WriteBasisset' argument 2 names different: declaration '_bs_name' definition 'bs_name'. [funcArgNamesDifferent]
xtp-1.6.4/src/libxtp/qmpackages/orca.h:64:62: note: Function 'WriteBasisset' argument 2 names different: declaration '_bs_name' definition 'bs_name'.
xtp-1.6.4/src/libxtp/qmpackages/orca.cc:68:66: note: Function 'WriteBasisset' argument 2 names different: declaration '_bs_name' definition 'bs_name'.
xtp-1.6.4/src/libxtp/qmpackages/orca.cc:109:44: style:inconclusive: Function 'WriteCoordinates' argument 1 names different: declaration 'com_file' definition 'inp_file'. [funcArgNamesDifferent]
xtp-1.6.4/src/libxtp/qmpackages/orca.h:66:40: note: Function 'WriteCoordinates' argument 1 names different: declaration 'com_file' definition 'inp_file'.
xtp-1.6.4/src/libxtp/qmpackages/orca.cc:109:44: note: Function 'WriteCoordinates' argument 1 names different: declaration 'com_file' definition 'inp_file'.
xtp-1.6.4/src/libxtp/qmpackages/orca.cc:127:36: style:inconclusive: Function 'WriteECP' argument 1 names different: declaration 'com_file' definition 'inp_file'. [funcArgNamesDifferent]
xtp-1.6.4/src/libxtp/qmpackages/orca.h:67:32: note: Function 'WriteECP' argument 1 names different: declaration 'com_file' definition 'inp_file'.
xtp-1.6.4/src/libxtp/qmpackages/orca.cc:127:36: note: Function 'WriteECP' argument 1 names different: declaration 'com_file' definition 'inp_file'.
xtp-1.6.4/src/libxtp/qmpackages/orca.cc:69:39: style: Parameter 'el_file_name' can be declared as reference to const [constParameter]
xtp-1.6.4/src/libxtp/qmpackages/orca.cc:233:28: style: Unused variable: results [unusedVariable]
xtp-1.6.4/src/libxtp/qmpackages/orca.cc:596:24: style: Variable 'occupancy[i]' is assigned a value that is never used. [unreadVariable]
xtp-1.6.4/src/libxtp/qmpackages/orca.cc:605:24: style: Variable 'occupancy[i]' is assigned a value that is never used. [unreadVariable]
xtp-1.6.4/src/libxtp/segment.cc:35:29: style: Consider using std::find_if algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/statefilters/Density_filter.cc:64:51: style: Parameter 'w' can be declared as reference to const [constParameter]
xtp-1.6.4/src/libxtp/statefilters/Density_filter.cc:69:52: style: Parameter 'r' can be declared as reference to const [constParameter]
xtp-1.6.4/src/libxtp/statefilters/OscillatorStrength_filter.cc:53:62: style: Parameter 'w' can be declared as reference to const [constParameter]
xtp-1.6.4/src/libxtp/statefilters/OscillatorStrength_filter.cc:57:63: style: Parameter 'r' can be declared as reference to const [constParameter]
xtp-1.6.4/src/libxtp/statefilters/Overlap_filter.cc:170:51: style: Parameter 'w' can be declared as reference to const [constParameter]
xtp-1.6.4/src/libxtp/statefilters/Overlap_filter.cc:175:52: style: Parameter 'r' can be declared as reference to const [constParameter]
xtp-1.6.4/src/libxtp/tools/apdft.cc:56:22: style: Consider using std::transform algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/libxtp/tools/molpol.cc:129:20: style: Consider using std::accumulate algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/tests/test_DeltaQ_filter.cc:25:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_adiis.cc:25:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_aobasis.cc:29:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_aomatrix.cc:27:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_aomatrix3d.cc:27:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_aopotential.cc:27:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_aoshell.cc:28:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_aotransform.cc:302:55: error: There is an unknown macro here somewhere. Configuration is required. If ; is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_atom.cc:24:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_basisset.cc:28:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_bfgs-trm.cc:30:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_bse.cc:27:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_bse_operator.cc:28:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_bsecoupling.cc:25:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_convergenceacc.cc:28:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_cubefile_writer.cc:26:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_cudamatrix.cc:27:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_cudapipeline.cc:27:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_davidson.cc:39:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_density_filter.cc:25:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_densityintegration.cc:27:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_dftcoupling.cc:25:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_dftengine.cc:26:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_diis.cc:25:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_dipoledipoleinteraction.cc:14:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_eeinteractor.cc:27:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_eigen.cc:25:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_eris.cc:25:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_espfit.cc:28:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_fourcenter.cc:28:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_gaussian.cc:26:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_glink.cc:24:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_gnode.cc:31:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_grid.cc:26:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_gw.cc:26:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_hist.cc:26:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_indexparser.cc:24:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_interaction.cc:24:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_jobtopology.cc:25:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_localisation_filter.cc:25:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_nwchem.cc:25:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_orbitals.cc:27:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_orca.cc:26:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_oscillatorstrength_filter.cc:25:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_overlap_filter.cc:25:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_polarsegment.cc:26:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_polarsite.cc:24:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_populationanalysis.cc:27:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_ppm.cc:29:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_qmatom.cc:24:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_qmfragment.cc:26:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_qmmolecule.cc:25:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_qmnblist.cc:24:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_qmpair.cc:26:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_qmstate.cc:26:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_radial_euler_maclaurin_rule.cc:27:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_rate_engine.cc:25:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_regular_grid.cc:26:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_rpa.cc:31:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_rpa_h2p.cc:28:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_segment.cc:28:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_segmentmapper.cc:26:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_sigma_exact.cc:30:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_sigma_ppm.cc:32:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_sphere_lebedev_rule.cc:26:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_sphere_lebedev_rule_fine.cc:26:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_sphere_lebedev_rule_xfine.cc:26:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_statetracker.cc:25:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_staticsite.cc:24:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_symmetric_matrix.cc:26:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_threecenter_dft.cc:28:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_threecenter_gwbse.cc:28:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_topology.cc:31:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_trustregion.cc:27:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_vc2index.cc:25:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_vxc_grid.cc:26:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tests/test_vxc_potential.cc:27:1: error: There is an unknown macro here somewhere. Configuration is required. If BOOST_AUTO_TEST_SUITE is a macro then please configure it. [unknownMacro]
xtp-1.6.4/src/tools/xtp_map.cc:188:21: style: Consider using std::copy algorithm instead of a raw loop. [useStlAlgorithm]
xtp-1.6.4/src/tools/xtp_map.cc:196:19: style: Consider using std::accumulate algorithm instead of a raw loop. [useStlAlgorithm]
diff:
head xtp-1.6.4/src/libxtp/aoshell.cc:32:15: style: Variable 'numsubshell' can be declared as reference to const [constVariable]
head xtp-1.6.4/src/libxtp/bfgs-trm.cc:33:14: style: Variable 'func' can be declared as reference to const [constVariable]
head xtp-1.6.4/src/libxtp/bfgs-trm.cc:62:16: style: Variable 'func' can be declared as reference to const [constVariable]
head xtp-1.6.4/src/libxtp/calculators/ianalyze.cc:107:13: style: Variable 'nblist' can be declared as reference to const [constVariable]
2.8 xtp-1.6.4/src/libxtp/calculators/ianalyze.cc:107:13: style: Variable 'nblist' can be declared with const [constVariable]
head xtp-1.6.4/src/libxtp/calculators/kmcmultiple.cc:98:62: style: Parameter 'startposition' can be declared as reference to const [constParameter]
2.8 xtp-1.6.4/src/libxtp/calculators/kmcmultiple.cc:98:62: style: Parameter 'startposition' can be declared with const [constParameter]
head xtp-1.6.4/src/libxtp/dftengine/dftengine.cc:868:19: style: Variable 'SubshellFunc' can be declared as reference to const [constVariable]
head xtp-1.6.4/src/libxtp/jobcalculators/eqm.cc:128:65: style: Parameter 'logger' can be declared as reference to const [constParameter]
2.8 xtp-1.6.4/src/libxtp/jobcalculators/eqm.cc:128:65: style: Parameter 'logger' can be declared with const [constParameter]
head xtp-1.6.4/src/libxtp/jobcalculators/iqm.cc:193:65: style: Parameter 'logger' can be declared as reference to const [constParameter]
2.8 xtp-1.6.4/src/libxtp/jobcalculators/iqm.cc:193:65: style: Parameter 'logger' can be declared with const [constParameter]
head xtp-1.6.4/src/libxtp/orbitals.cc:580:32: style: Variable 'e' can be declared as reference to const [constVariable]
head xtp-1.6.4/src/libxtp/polarregion.cc:179:24: style: Variable 'seg' can be declared as reference to const [constVariable]
head xtp-1.6.4/src/libxtp/polarregion.cc:188:22: style: Variable 'seg' can be declared as reference to const [constVariable]
head xtp-1.6.4/src/libxtp/qmpackages/orca.cc:69:39: style: Parameter 'el_file_name' can be declared as reference to const [constParameter]
2.8 xtp-1.6.4/src/libxtp/qmpackages/orca.cc:69:39: style: Parameter 'el_file_name' can be declared with const [constParameter]
head xtp-1.6.4/src/libxtp/statefilters/Density_filter.cc:64:51: style: Parameter 'w' can be declared as reference to const [constParameter]
2.8 xtp-1.6.4/src/libxtp/statefilters/Density_filter.cc:64:51: style: Parameter 'w' can be declared with const [constParameter]
head xtp-1.6.4/src/libxtp/statefilters/Density_filter.cc:69:52: style: Parameter 'r' can be declared as reference to const [constParameter]
2.8 xtp-1.6.4/src/libxtp/statefilters/Density_filter.cc:69:52: style: Parameter 'r' can be declared with const [constParameter]
head xtp-1.6.4/src/libxtp/statefilters/OscillatorStrength_filter.cc:53:62: style: Parameter 'w' can be declared as reference to const [constParameter]
2.8 xtp-1.6.4/src/libxtp/statefilters/OscillatorStrength_filter.cc:53:62: style: Parameter 'w' can be declared with const [constParameter]
head xtp-1.6.4/src/libxtp/statefilters/OscillatorStrength_filter.cc:57:63: style: Parameter 'r' can be declared as reference to const [constParameter]
2.8 xtp-1.6.4/src/libxtp/statefilters/OscillatorStrength_filter.cc:57:63: style: Parameter 'r' can be declared with const [constParameter]
head xtp-1.6.4/src/libxtp/statefilters/Overlap_filter.cc:170:51: style: Parameter 'w' can be declared as reference to const [constParameter]
2.8 xtp-1.6.4/src/libxtp/statefilters/Overlap_filter.cc:170:51: style: Parameter 'w' can be declared with const [constParameter]
head xtp-1.6.4/src/libxtp/statefilters/Overlap_filter.cc:175:52: style: Parameter 'r' can be declared as reference to const [constParameter]
2.8 xtp-1.6.4/src/libxtp/statefilters/Overlap_filter.cc:175:52: style: Parameter 'r' can be declared with const [constParameter]


DONE