Ticket List (61 matches)

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IDOpen DateLast UpdateSummaryOwnerReporterTypeMileStoneComponentPrioritySeverityStatusResolution
315172013-06-06 17:222013-07-15 18:09Broken objfile.depktnsktnsBugsver0.3.0 (closed)88ClosedFixed
359842016-01-26 13:192016-01-26 13:36bug in calculating mulliken in excited statesmikiya_fujiimikiya_fujiiBugsver0.4.077ClosedFixed
346422014-11-26 17:222014-11-27 00:57bugs in parallel calculation of forcesmikiya_fujiimikiya_fujiiBugsver0.4.075 - MediumClosedFixed
300452012-11-08 03:452013-02-28 14:43GetForce returns NaNmikiya_fujiiktnsBugsver0.3.0 (closed)77ClosedFixed
295352012-09-13 12:172012-09-13 14:52Unit of pddgExponent is incorrectmikiya_fujiimikiya_fujiiBugsver0.2 (closed)74ClosedFixed
286642012-06-07 23:092012-06-07 23:18Enable PM3-D and AM1-D to run MD, RPMD, and OPTIMIZATION.mikiya_fujiimikiya_fujiiBugsver0.2 (closed)77ClosedNone
278472012-03-16 18:592012-03-17 01:19Reverse of eigen vectorsmikiya_fujiimikiya_fujiiBugsver0.2 (closed)77ClosedFixed
274632012-02-09 13:052012-02-09 13:07"Tab" separation should be valid in InputParser.mikiya_fujiimikiya_fujiiBugs77ClosedFixed
274532012-02-08 20:382012-02-08 20:40Parallelization bug in Mndo::CalcForcemikiya_fujiimikiya_fujiiBugsver0.2 (closed)77ClosedNone
270442012-01-04 13:342012-01-05 23:32Malloc should be in try-region.mikiya_fujiimikiya_fujiiBugsver0.2 (closed)77ClosedFixed
270432012-01-04 10:162012-01-04 15:23MallocerFreer::Malloc is modifed to void-return.mikiya_fujiimikiya_fujiiBugsver0.2 (closed)77ClosedNone
270422012-01-04 10:132012-01-09 18:25Malloc should not called in constructor in Atom.cpp and Molecule.cppmikiya_fujiimikiya_fujiiBugsver0.2 (closed)77ClosedFixed
269912011-12-22 00:512011-12-31 17:41don't return vecot-containermikiya_fujiimikiya_fujiiBugsver0.1 (closed)77ClosedNone
269702011-12-20 13:562011-12-22 05:44Error handling of omp-regionmikiya_fujiimikiya_fujiiBugsver0.1 (closed)75 - MediumClosedFixed
359932016-01-27 21:142016-01-27 22:29excited state correction in dipole momentmikiya_fujiimikiya_fujiiBugsver0.4.066ClosedFixed
307862013-02-15 19:042013-02-15 19:13Memory leak in calculating the unpaired electron populationmikiya_fujiimikiya_fujiiBugsver0.3.0 (closed)66ClosedNone
305952013-01-26 04:292013-07-12 17:43Abort with independent DIIS equationsktnsktnsBugsver0.3.0 (closed)66ClosedNone
301612012-11-20 17:452013-07-31 00:15overfolw of int in "Lapack.cpp"mikiya_fujiimikiya_fujiiBugsver0.3.0 (closed)66ClosedFixed
297642012-10-06 17:062012-10-06 17:31Segmentation fault in g++ for Mndo.cpp in Rev. 1049mikiya_fujiimikiya_fujiiBugsver0.2 (closed)66ClosedFixed
284522012-05-20 11:472012-05-20 11:58Output of core dipole momentmikiya_fujiimikiya_fujiiBugsver0.2 (closed)65 - MediumClosedNone
279742012-03-30 18:212012-04-01 01:00DensityLogger::CalcOrigin should be written in HoleDensityLogger and ParticleDensityLogger, respectively.mikiya_fujiimikiya_fujiiBugsver0.2 (closed)65 - MediumClosedFixed
364742016-07-22 17:192016-07-22 17:27bug in calculating mulliken in excited states 2mikiya_fujiimikiya_fujiiBugsver0.4.05 - Medium9 - HighestClosedFixed
359982016-01-28 22:152016-01-28 22:37Avoiding degenerate MO energymikiya_fujiimikiya_fujiiBugsver0.4.05 - Medium5 - MediumClosedFixed
340622014-07-21 18:352014-07-21 18:51Use GEDIIS superposed force to calculate RFO stepktnsktnsBugsver0.4.05 - Medium5 - MediumClosedFixed
340602014-07-21 02:082014-07-21 02:10Fix compilation problem with GCC 4.9ktnsktnsBugsver0.4.05 - Medium5 - MediumClosedFixed
340492014-07-16 03:192014-07-16 03:20bug in mpi/AsyncCommunicator.hmikiya_fujiimikiya_fujiiBugsver0.4.05 - Medium5 - MediumClosedFixed
337242014-04-29 11:222014-04-29 14:02Enable atoms for adding bare VdW.mikiya_fujiimikiya_fujiiBugsver0.4.05 - Medium5 - MediumClosedFixed
329062014-01-12 16:082014-01-12 16:12Old force is used in BFGSktnsktnsBugs5 - Medium5 - MediumClosedFixed
328832014-01-10 18:252014-01-10 19:11-lboost_system is added in BOOST_LIBS in makefiles.mikiya_fujiimikiya_fujiiBugsver0.4.05 - Medium5 - MediumClosedFixed
328792014-01-09 14:432014-01-09 14:48BFGS rollback bugktnsktnsBugs5 - Medium5 - MediumClosedFixed
326502013-12-22 23:142013-12-25 17:36Makefile_GNU depend target calls main Makefilemikiya_fujiimbanckBugsver0.3.1 (closed)5 - Medium5 - MediumClosedFixed
326412013-12-20 17:202013-12-20 19:09make a tag 0.3.0mikiya_fujiimikiya_fujiiBugsver0.3.0 (closed)5 - Medium5 - MediumClosedFixed
323092013-10-17 13:152013-10-18 11:10MolDSException handling in openMP/MPI regionmikiya_fujiimikiya_fujiiBugsver0.3.0 (closed)5 - Medium5 - MediumClosedFixed
321132013-09-24 19:362013-09-24 20:04resolve row/column major confusion in Blas.cppmikiya_fujiimikiya_fujiiBugsver0.3.0 (closed)5 - Medium5 - MediumClosedFixed
318072013-07-30 23:332013-07-30 23:50bug of "ldc"-parameter in Blas::Dgemmmikiya_fujiimikiya_fujiiBugsver0.3.0 (closed)5 - Medium6ClosedFixed
316452013-07-03 09:322013-07-03 21:36Dsysv: info != 0 in Cndo2::DoDIISktnsBugs5 - Medium5 - MediumClosedDuplicate
314282013-05-24 18:132013-05-24 18:52cache of two electron integral in ZindoSmikiya_fujiimikiya_fujiiBugsver0.3.0 (closed)5 - Medium5 - MediumClosedFixed
306052013-01-27 09:322013-02-12 05:07RMS density change is not RMSmikiya_fujiiktnsBugs5 - Medium7ClosedFixed
303772012-12-26 02:542012-12-26 03:10Bad CFLAGS64 in Makefilemikiya_fujiimikiya_fujiiBugsver0.3.0 (closed)5 - Medium5 - MediumClosedFixed
302082012-11-28 13:472012-11-29 03:36Estimate of "Block size" is needed each time that DSYSV is called.mikiya_fujiimikiya_fujiiBugsver0.2 (closed)5 - Medium4ClosedFixed
289552012-07-08 22:392012-07-11 16:14parallelization misstake in BFGSktnsmikiya_fujiiBugsver0.2 (closed)5 - Medium5 - MediumClosedFixed
289052012-07-03 00:592012-07-03 02:01missing of the test of pm3dmikiya_fujiiBugsver0.2 (closed)5 - Medium5 - MediumClosedFixed
289002012-07-02 16:252012-07-08 22:14missign of the test of optimization of conjugate gradientmikiya_fujiimikiya_fujiiBugsver0.2 (closed)5 - Medium5 - MediumClosedNone
287812012-06-19 10:392012-06-20 01:39throw in omp-regionmikiya_fujiimikiya_fujiiBugsver0.2 (closed)5 - Medium5 - MediumClosedFixed
281862012-04-27 15:482012-04-27 15:56Always calculate exciton-energiesmikiya_fujiimikiya_fujiiBugsver0.2 (closed)5 - Medium5 - MediumClosedFixed
275672012-02-16 21:512012-02-16 22:35Using stack is replaced to using heap (Cndo2::CalcOrbitalElectronPopulation)mikiya_fujiimikiya_fujiiBugsver0.2 (closed)5 - Medium5 - MediumClosedFixed
271622012-01-18 19:492012-02-08 12:23COM of Molecular-classmikiya_fujiimikiya_fujiiBugsver0.2 (closed)5 - Medium5 - MediumClosedWon't Fix
271312012-01-14 02:052012-01-14 02:07Validate MC and MD conditions for excited statesmikiya_fujiimikiya_fujiiBugsver0.2 (closed)5 - Medium5 - MediumClosedFixed
266422011-10-27 18:042011-10-27 18:08NDDO derived parameters for sulfurmikiya_fujiimikiya_fujiiBugs5 - Medium5 - MediumClosedFixed
266202011-10-26 02:562011-10-26 03:06MNDO(derived parameters) mikiya_fujiimikiya_fujiiBugsver0.1 (closed)5 - Medium4ClosedFixed
265822011-10-21 22:262011-10-21 22:29ZindoS(HF) - bug in analytic force calculationmikiya_fujiimikiya_fujiiBugsver0.1 (closed)5 - Medium3ClosedFixed
272782012-01-29 01:382012-01-29 01:41InputParser::CheckHoge is renamedmikiya_fujiimikiya_fujiiBugsver0.2 (closed)44ClosedNone
271142012-01-12 19:562012-10-05 21:30Error handling AtomFactorymikiya_fujiimikiya_fujiiBugsver0.2 (closed)44ClosedWorks For Me
269172011-12-10 01:512011-12-10 05:58typo for error logmikiya_fujiimikiya_fujiiBugsver0.1 (closed)44ClosedFixed
265782011-10-20 20:232011-10-26 17:24rename:Cndo2::CalcRotatingMatrixFirstDerivativemikiya_fujiimikiya_fujiiBugsver0.1 (closed)44ClosedFixed
321512013-10-01 09:592013-10-01 10:04show version info mikiya_fujiimikiya_fujiiBugsver0.3.0 (closed)35 - MediumClosedFixed
303272012-12-17 14:422012-12-17 14:43Segmentations fault for odd valence electron systemsmikiya_fujiimikiya_fujiiBugsver0.3.0 (closed)33ClosedFixed
297612012-10-06 03:352012-10-27 02:23Inputfile is not find or 0 biteokymmoldsmikiya_fujiiBugsver0.2 (closed)33ClosedFixed
268252011-11-28 03:462011-12-12 17:47delete bondingAdjustParameterKmikiya_fujiimikiya_fujiiBugsver0.1 (closed)22ClosedFixed
326792013-12-25 20:492013-12-25 20:51small bug in index of coefficient of CIS eigenvectormikiya_fujiimikiya_fujiiBugsver0.4.01 - Lowest1 - LowestClosedNone
287722012-06-18 10:582012-07-05 05:21typo: "loop" is correct. "roop" is not correct.ktnsmikiya_fujiiBugs1 - Lowest1 - LowestClosedFixed