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  • 里程碑Equal: ver0.4.0
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ID开放日期最后更新概述属主报告人类型里程碑组件优先严重性状态处理结果
359842016-01-26 13:192016-01-26 13:36bug in calculating mulliken in excited statesmikiya_fujiimikiya_fujiiBugsver0.4.077关闭Fixed
346422014-11-26 17:222014-11-27 00:57bugs in parallel calculation of forcesmikiya_fujiimikiya_fujiiBugsver0.4.075 - Medium关闭Fixed
328662014-01-08 10:182014-01-08 15:59Add Zn to MNDO, AM1, and PM3mikiya_fujiimikiya_fujiiFeature Requestsver0.4.077关闭Fixed
361532016-03-15 15:332016-03-17 16:55Direct calculation of 2 electron integralmikiya_fujiimikiya_fujiiFeature Requestsver0.4.065 - Medium关闭Fixed
359932016-01-27 21:142016-01-27 22:29excited state correction in dipole momentmikiya_fujiimikiya_fujiiBugsver0.4.066关闭Fixed
327522013-12-31 00:012014-01-05 19:08Ghost atomsmikiya_fujiimikiya_fujiiFeature Requestsver0.4.066关闭Won't Fix
320942013-09-23 11:462015-05-14 11:33support Fujitsu compiler (FX10)mikiya_fujiimikiya_fujiiFeature Requestsver0.4.066关闭Fixed
364742016-07-22 17:192016-07-22 17:27bug in calculating mulliken in excited states 2mikiya_fujiimikiya_fujiiBugsver0.4.05 - Medium9 - Highest关闭Fixed
364662016-07-16 21:562016-07-20 12:56mullikensmikiya_fujiimikiya_fujiiFeature Requestsver0.4.05 - Medium5 - Medium关闭无
359982016-01-28 22:152016-01-28 22:37Avoiding degenerate MO energymikiya_fujiimikiya_fujiiBugsver0.4.05 - Medium5 - Medium关闭Fixed
351422015-05-13 10:472016-01-19 18:14tunig supported by RISTmikiya_fujiiFeature Requestsver0.4.05 - Medium5 - Medium关闭Fixed
351002015-05-01 11:412015-05-06 14:16tunig of loadbalance for half triangle matrixmikiya_fujiimikiya_fujiiFeature Requestsver0.4.05 - Medium5 - Medium关闭Fixed
350882015-04-28 00:372015-04-28 04:28parallel drawing of electron and hole densitiesmikiya_fujiimikiya_fujiiFeature Requestsver0.4.05 - Medium5 - Medium关闭Fixed
350852015-04-25 16:392015-04-27 09:54parallel drawing of MOsmikiya_fujiimikiya_fujiiFeature Requestsver0.4.05 - Medium5 - Medium关闭Fixed
350812015-04-24 00:292015-04-24 00:58negative value for hole-plotmikiya_fujiimikiya_fujiiPatchesver0.4.05 - Medium5 - Medium关闭Fixed
346942014-12-12 11:352015-04-24 17:18second derivative (numerical)mikiya_fujiimikiya_fujiiFeature Requestsver0.4.05 - Medium5 - Medium关闭Fixed
340622014-07-21 18:352014-07-21 18:51Use GEDIIS superposed force to calculate RFO stepktnsktnsBugsver0.4.05 - Medium5 - Medium关闭Fixed
340602014-07-21 02:082014-07-21 02:10Fix compilation problem with GCC 4.9ktnsktnsBugsver0.4.05 - Medium5 - Medium关闭Fixed
340492014-07-16 03:192014-07-16 03:20bug in mpi/AsyncCommunicator.hmikiya_fujiimikiya_fujiiBugsver0.4.05 - Medium5 - Medium关闭Fixed
340452014-07-15 10:492014-07-15 20:27Space fixed atoms in optimizationmikiya_fujiimikiya_fujiiFeature Requestsver0.4.05 - Medium5 - Medium关闭Fixed
337242014-04-29 11:222014-04-29 14:02Enable atoms for adding bare VdW.mikiya_fujiimikiya_fujiiBugsver0.4.05 - Medium5 - Medium关闭Fixed
337222014-04-29 02:292014-04-29 10:19Add Cl (chlorine)mikiya_fujiimikiya_fujiiFeature Requestsver0.4.05 - Medium5 - Medium关闭Fixed
337212014-04-29 01:262014-04-29 01:28Add F (Fluorine)mikiya_fujiimikiya_fujiiFeature Requestsver0.4.05 - Medium5 - Medium关闭Fixed
330502014-01-30 13:342014-02-20 18:34Sum of charge of a part of moleulemikiya_fujiimikiya_fujiiFeature Requestsver0.4.05 - Medium5 - Medium关闭Fixed
328842014-01-10 18:312014-01-10 19:05Oscillator Strengthmikiya_fujiimikiya_fujiiFeature Requestsver0.4.05 - Medium5 - Medium关闭Fixed
328832014-01-10 18:252014-01-10 19:11-lboost_system is added in BOOST_LIBS in makefiles.mikiya_fujiimikiya_fujiiBugsver0.4.05 - Medium5 - Medium关闭Fixed
328812014-01-10 16:592014-07-21 13:03Refactor Optimizer classes using OptimizerStatektnsktnsPatchesver0.4.05 - Medium5 - Medium关闭Fixed
319162013-08-24 01:222016-01-28 22:39Scalapck to diagonalize HF matrixmikiya_fujiimikiya_fujiiFeature Requestsver0.4.05 - Medium5 - Medium关闭Fixed
340502014-07-16 11:362014-07-16 13:46output format of molecular which user wanna calculates and MPI-conditions are modified.mikiya_fujiimikiya_fujiiPatchesver0.4.043关闭Fixed
329462014-01-20 09:522014-01-20 10:40Print wavenumber for each excitation energymikiya_fujiimikiya_fujiiFeature Requestsver0.4.044关闭Fixed
328402014-01-06 09:152014-01-06 09:50copy right for 2014mikiya_fujiimikiya_fujiiPatchesver0.4.033关闭Fixed
327502013-12-30 01:312013-12-30 02:36Use Atom::GetCoreMass than Atom::GetAtomicMass if possiblemikiya_fujiimikiya_fujiiPatchesver0.4.021 - Lowest关闭Fixed
326772013-12-25 19:582013-12-25 21:12Rename electronic shellmikiya_fujiimikiya_fujiiPatchesver0.4.021 - Lowest关闭Fixed
328522014-01-07 09:552014-01-07 09:56Maintenance of src/tools/paramYZmikiya_fujiimikiya_fujiiPatchesver0.4.01 - Lowest1 - Lowest关闭Fixed
326792013-12-25 20:492013-12-25 20:51small bug in index of coefficient of CIS eigenvectormikiya_fujiimikiya_fujiiBugsver0.4.01 - Lowest1 - Lowest关闭无