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Ticket List (55 matches)

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  • MileStoneEqual: ver0.3.0 (closed)
  • StatusEqual: Closed
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IDOpen DateLast UpdateSummaryOwnerReporterTypeMileStoneComponentPrioritySeverityStatusResolution
315172013-06-06 17:222013-07-15 18:09Broken objfile.depktnsktnsBugsver0.3.0 (closed)88ClosedFixed
300452012-11-08 03:452013-02-28 14:43GetForce returns NaNmikiya_fujiiktnsBugsver0.3.0 (closed)77ClosedFixed
318512013-08-08 09:532013-08-08 15:47MPI-parallelization of the HFmikiya_fujiimikiya_fujiiFeature Requestsver0.3.0 (closed)66ClosedFixed
317162013-07-13 22:442013-07-18 15:24Serialization/Deserialization of MolDSExceptionktnsktnsPatchesver0.3.0 (closed)66ClosedFixed
308292013-02-22 14:272013-03-29 14:33Speed up of calculating the forcemikiya_fujiimikiya_fujiiPatchesver0.3.0 (closed)66ClosedFixed
307862013-02-15 19:042013-02-15 19:13Memory leak in calculating the unpaired electron populationmikiya_fujiimikiya_fujiiBugsver0.3.0 (closed)66ClosedNone
306702013-02-03 16:092013-02-03 16:12Refactoring calculation (transition) dipole momentmikiya_fujiimikiya_fujiiPatchesver0.3.0 (closed)66ClosedDuplicate
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
326422013-12-20 17:202013-12-20 17:34Rearrangement of Makefilesmikiya_fujiimikiya_fujiiPatchesver0.3.0 (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
326402013-12-20 17:072013-12-20 17:11release notesmikiya_fujiimikiya_fujiiFeature Requestsver0.3.0 (closed)5 - Medium5 - MediumClosedFixed
323192013-10-23 10:012013-12-20 18:56Sulphur parameters in ZINDO/Smikiya_fujiimikiya_fujiiPatchesver0.3.0 (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
317302013-07-18 16:092013-12-19 10:45Chain MolDSExceptionsktnsktnsPatchesver0.3.0 (closed)5 - Medium5 - MediumClosedFixed
317282013-07-18 00:102013-07-18 00:25Supporting boost1.46.0mikiya_fujiimikiya_fujiiFeature Requestsver0.3.0 (closed)5 - Medium5 - MediumClosedFixed
317122013-07-12 13:102013-07-12 17:43Add key value pairs to MolDSExceptionktnsktnsPatchesver0.3.0 (closed)5 - Medium5 - MediumClosedNone
315882013-06-18 09:482013-07-24 16:51MPI parallelization of CISmikiya_fujiimikiya_fujiiFeature Requestsver0.3.0 (closed)5 - Medium5 - MediumClosedFixed
314282013-05-24 18:132013-05-24 18:52cache of two electron integral in ZindoSmikiya_fujiimikiya_fujiiBugsver0.3.0 (closed)5 - Medium5 - MediumClosedFixed
314212013-05-23 18:502013-05-23 19:23Cache of distance between each atommikiya_fujiimikiya_fujiiFeature Requestsver0.3.0 (closed)5 - Medium5 - MediumClosedFixed
312212013-04-25 09:472013-08-01 01:28excited states force of ZINDO/Smikiya_fujiimikiya_fujiiFeature Requestsver0.3.0 (closed)5 - Medium5 - MediumClosedFixed
308672013-03-02 01:452013-03-02 02:21prepare doxygen config filemikiya_fujiimikiya_fujiiFeature Requestsver0.3.0 (closed)5 - Medium5 - MediumClosedFixed
307492013-02-14 23:182013-02-15 19:19Initialization of arraiesmikiya_fujiimikiya_fujiiFeature Requestsver0.3.0 (closed)5 - Medium3ClosedFixed
306542013-02-01 11:312013-02-03 13:46Refactoring of ZIDNO/S to speed upmikiya_fujiimikiya_fujiiPatchesver0.3.0 (closed)5 - Medium5 - MediumClosedFixed
306212013-01-29 14:262013-08-29 16:35Inline expand for small methodsmikiya_fujiimikiya_fujiiPatchesver0.3.0 (closed)5 - Medium5 - MediumClosedFixed
306182013-01-29 11:542013-01-29 14:26Cache totalNumberAOs in each method to speed upmikiya_fujiimikiya_fujiiPatchesver0.3.0 (closed)5 - Medium5 - MediumClosedWon't Fix
306172013-01-29 06:422013-06-19 20:29Refactoring how to calculate dipole momentsmikiya_fujiimikiya_fujiiPatchesver0.3.0 (closed)5 - Medium5 - MediumClosedNone
305962013-01-26 07:132013-01-26 07:24Speed up Mndo::CalcCISMatrixmikiya_fujiimikiya_fujiiFeature Requestsver0.3.0 (closed)5 - Medium5 - MediumClosedFixed
305542013-01-21 18:122013-01-23 07:14Output on/off of DIIS and "eMax" mikiya_fujiimikiya_fujiiFeature Requestsver0.3.0 (closed)5 - Medium5 - MediumClosedFixed
303772012-12-26 02:542012-12-26 03:10Bad CFLAGS64 in Makefilemikiya_fujiimikiya_fujiiBugsver0.3.0 (closed)5 - Medium5 - MediumClosedFixed
303312012-12-18 23:322013-02-22 14:29Check size of BLAS/LAPACK intktnsktnsPatchesver0.3.0 (closed)5 - Medium5 - MediumClosedFixed
302182012-11-29 18:332013-02-22 14:31Make make depend' needless ktnsktnsPatchesver0.3.0 (closed)5 - Medium5 - MediumClosedFixed
286052012-05-31 23:402012-12-03 23:48Electron population of excited statesmikiya_fujiimikiya_fujiiFeature Requestsver0.3.0 (closed)5 - Medium5 - MediumClosedFixed
322352013-10-11 17:512013-10-25 10:18Lapacke is used in INTEL, GNU, and FX10mikiya_fujiimikiya_fujiiFeature Requestsver0.3.0 (closed)44ClosedFixed
318502013-08-08 09:492013-12-19 10:47Reractoring use of powmikiya_fujiimikiya_fujiiFeature Requestsver0.3.0 (closed)44ClosedNone
305662013-01-23 15:472013-02-22 14:39Use cblas routines only in BLAS wrapperktnsktnsPatchesver0.3.0 (closed)44ClosedNone
305602013-01-22 15:562013-02-22 14:41Use dsyrk in CalcOrbitalElectronPopulationktnsktnsPatchesver0.3.0 (closed)45 - MediumClosedFixed
304092012-12-29 13:282013-02-22 14:38Integrate Blas/Lapack_GNU.cppktnsktnsPatchesver0.3.0 (closed)44ClosedFixed
297232012-10-02 22:212013-07-24 18:42const GetForcemikiya_fujiimikiya_fujiiPatchesver0.3.0 (closed)45 - MediumClosedFixed
278322012-03-14 19:512013-01-30 00:03NULL check is carried in debug-build.mikiya_fujiimikiya_fujiiPatchesver0.3.0 (closed)44ClosedFixed
323802013-11-01 15:052013-11-01 16:23Name of the executable is changed to "molds"mikiya_fujiimikiya_fujiiPatchesver0.3.0 (closed)33ClosedFixed
322992013-10-15 19:342013-10-16 11:52Cache temporary memory for DGEMM and DGEMMMmikiya_fujiimikiya_fujiiFeature Requestsver0.3.0 (closed)33ClosedFixed
321512013-10-01 09:592013-10-01 10:04show version info mikiya_fujiimikiya_fujiiBugsver0.3.0 (closed)35 - MediumClosedFixed
321502013-10-01 09:302013-10-01 09:58Show README.txt as helpmikiya_fujiimikiya_fujiiFeature Requestsver0.3.0 (closed)35 - MediumClosedFixed
319192013-08-24 10:452013-08-27 18:40Refactor Cndo2::DoDIIS using BLASmikiya_fujiiktnsPatchesver0.3.0 (closed)33ClosedFixed
318542013-08-08 15:262013-08-24 10:51GEDIIS optimizerktnsktnsPatchesver0.3.0 (closed)33ClosedFixed
314912013-06-03 11:262013-12-19 10:46Print backtrace of the exceptionktnsktnsPatchesver0.3.0 (closed)33ClosedFixed
305572013-01-22 03:452013-04-01 11:21Use boost::math::factorialktnsktnsPatchesver0.3.0 (closed)34ClosedFixed
303272012-12-17 14:422012-12-17 14:43Segmentations fault for odd valence electron systemsmikiya_fujiimikiya_fujiiBugsver0.3.0 (closed)33ClosedFixed
299582012-10-27 03:112013-02-02 11:23Unpaired electron population at Mulliken typeokymmoldsokymmoldsFeature Requestsver0.3.0 (closed)33ClosedNone
305842013-01-24 23:062013-02-22 14:34Change working directory to the test directory at the first of the test scriptktnsktnsSupport Requestver0.3.0 (closed)22ClosedFixed
305832013-01-24 19:552013-04-01 11:25CFLAGS from environment variablektnsktnsSupport Requestver0.3.0 (closed)22ClosedFixed
305822013-01-24 19:542013-04-01 11:23LDFLAGS from environment variablektnsktnsSupport Requestver0.3.0 (closed)22ClosedFixed