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Ticket List (35 matches)

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  • MileStoneEqual: ver0.4.0
  • StatusEqual: Closed
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IDOpen DateLast UpdateSummaryOwnerReporterTypeMileStoneComponentPrioritySeverityStatusResolution
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
328662014-01-08 10:182014-01-08 15:59Add Zn to MNDO, AM1, and PM3mikiya_fujiimikiya_fujiiFeature Requestsver0.4.077ClosedFixed
361532016-03-15 15:332016-03-17 16:55Direct calculation of 2 electron integralmikiya_fujiimikiya_fujiiFeature Requestsver0.4.065 - MediumClosedFixed
359932016-01-27 21:142016-01-27 22:29excited state correction in dipole momentmikiya_fujiimikiya_fujiiBugsver0.4.066ClosedFixed
327522013-12-31 00:012014-01-05 19:08Ghost atomsmikiya_fujiimikiya_fujiiFeature Requestsver0.4.066ClosedWon't Fix
320942013-09-23 11:462015-05-14 11:33support Fujitsu compiler (FX10)mikiya_fujiimikiya_fujiiFeature Requestsver0.4.066ClosedFixed
364742016-07-22 17:192016-07-22 17:27bug in calculating mulliken in excited states 2mikiya_fujiimikiya_fujiiBugsver0.4.05 - Medium9 - HighestClosedFixed
364662016-07-16 21:562016-07-20 12:56mullikensmikiya_fujiimikiya_fujiiFeature Requestsver0.4.05 - Medium5 - MediumClosedNone
359982016-01-28 22:152016-01-28 22:37Avoiding degenerate MO energymikiya_fujiimikiya_fujiiBugsver0.4.05 - Medium5 - MediumClosedFixed
351422015-05-13 10:472016-01-19 18:14tunig supported by RISTmikiya_fujiiFeature Requestsver0.4.05 - Medium5 - MediumClosedFixed
351002015-05-01 11:412015-05-06 14:16tunig of loadbalance for half triangle matrixmikiya_fujiimikiya_fujiiFeature Requestsver0.4.05 - Medium5 - MediumClosedFixed
350882015-04-28 00:372015-04-28 04:28parallel drawing of electron and hole densitiesmikiya_fujiimikiya_fujiiFeature Requestsver0.4.05 - Medium5 - MediumClosedFixed
350852015-04-25 16:392015-04-27 09:54parallel drawing of MOsmikiya_fujiimikiya_fujiiFeature Requestsver0.4.05 - Medium5 - MediumClosedFixed
350812015-04-24 00:292015-04-24 00:58negative value for hole-plotmikiya_fujiimikiya_fujiiPatchesver0.4.05 - Medium5 - MediumClosedFixed
346942014-12-12 11:352015-04-24 17:18second derivative (numerical)mikiya_fujiimikiya_fujiiFeature Requestsver0.4.05 - 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
340452014-07-15 10:492014-07-15 20:27Space fixed atoms in optimizationmikiya_fujiimikiya_fujiiFeature Requestsver0.4.05 - Medium5 - MediumClosedFixed
337242014-04-29 11:222014-04-29 14:02Enable atoms for adding bare VdW.mikiya_fujiimikiya_fujiiBugsver0.4.05 - Medium5 - MediumClosedFixed
337222014-04-29 02:292014-04-29 10:19Add Cl (chlorine)mikiya_fujiimikiya_fujiiFeature Requestsver0.4.05 - Medium5 - MediumClosedFixed
337212014-04-29 01:262014-04-29 01:28Add F (Fluorine)mikiya_fujiimikiya_fujiiFeature Requestsver0.4.05 - Medium5 - MediumClosedFixed
330502014-01-30 13:342014-02-20 18:34Sum of charge of a part of moleulemikiya_fujiimikiya_fujiiFeature Requestsver0.4.05 - Medium5 - MediumClosedFixed
328842014-01-10 18:312014-01-10 19:05Oscillator Strengthmikiya_fujiimikiya_fujiiFeature Requestsver0.4.05 - 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
328812014-01-10 16:592014-07-21 13:03Refactor Optimizer classes using OptimizerStatektnsktnsPatchesver0.4.05 - Medium5 - MediumClosedFixed
319162013-08-24 01:222016-01-28 22:39Scalapck to diagonalize HF matrixmikiya_fujiimikiya_fujiiFeature Requestsver0.4.05 - Medium5 - MediumClosedFixed
340502014-07-16 11:362014-07-16 13:46output format of molecular which user wanna calculates and MPI-conditions are modified.mikiya_fujiimikiya_fujiiPatchesver0.4.043ClosedFixed
329462014-01-20 09:522014-01-20 10:40Print wavenumber for each excitation energymikiya_fujiimikiya_fujiiFeature Requestsver0.4.044ClosedFixed
328402014-01-06 09:152014-01-06 09:50copy right for 2014mikiya_fujiimikiya_fujiiPatchesver0.4.033ClosedFixed
327502013-12-30 01:312013-12-30 02:36Use Atom::GetCoreMass than Atom::GetAtomicMass if possiblemikiya_fujiimikiya_fujiiPatchesver0.4.021 - LowestClosedFixed
326772013-12-25 19:582013-12-25 21:12Rename electronic shellmikiya_fujiimikiya_fujiiPatchesver0.4.021 - LowestClosedFixed
328522014-01-07 09:552014-01-07 09:56Maintenance of src/tools/paramYZmikiya_fujiimikiya_fujiiPatchesver0.4.01 - Lowest1 - LowestClosedFixed
326792013-12-25 20:492013-12-25 20:51small bug in index of coefficient of CIS eigenvectormikiya_fujiimikiya_fujiiBugsver0.4.01 - Lowest1 - LowestClosedNone