Ticket List (84 matches)

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  • MileStoneEqual: ver0.2 (closed)
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IDOpen DateLast UpdateSummaryOwnerReporterTypeMileStoneComponentPrioritySeverityStatusResolution
270452012-01-04 13:352012-01-12 16:17Licensemikiya_fujiimikiya_fujiiFeature Requestsver0.2 (closed)88ClosedNone
295352012-09-13 12:172012-09-13 14:52Unit of pddgExponent is incorrectmikiya_fujiimikiya_fujiiBugsver0.2 (closed)74ClosedFixed
286992012-06-12 10:072012-06-12 11:22Speed up Mndo::RotateTwoElecTwoCoreDiatomicFirstDerivativesToSpaceFramegcmikiya_fujiimikiya_fujiiPatchesver0.2 (closed)77ClosedFixed
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
278312012-03-14 19:492012-06-08 19:21Speed up Mndo::RotateTwoElecTwoCoreDiatomicToSpaceFramegcmikiya_fujiimikiya_fujiiPatchesver0.2 (closed)77ClosedNone
278302012-03-14 19:462012-10-09 17:53Make BlasWrappermikiya_fujiimikiya_fujiiFeature Requestsver0.2 (closed)77ClosedNone
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
300832012-11-13 12:262012-11-14 17:52Avoid overflow of "int" in the "MallocerFrrer"mikiya_fujiimikiya_fujiiPatchesver0.2 (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
272792012-01-29 03:162012-01-30 10:31Print controlmikiya_fujiimikiya_fujiiFeature Requestsver0.2 (closed)66ClosedNone
302172012-11-29 10:502012-11-29 19:23Update doc/README.txt for ver0.2mikiya_fujiimikiya_fujiiSupport Requestver0.2 (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
302072012-11-28 13:402012-11-28 14:05Versions of OpneBLAS and Boost should not been assigned in Makefilemikiya_fujiimikiya_fujiiPatchesver0.2 (closed)5 - Medium5 - MediumClosedFixed
301112012-11-15 18:282012-11-16 19:09Parallelize ZindoS::GetElectronicTransitionDipoleMomentmikiya_fujiimikiya_fujiiFeature Requestsver0.2 (closed)5 - Medium5 - MediumClosedFixed
291922012-08-07 16:022012-08-07 17:39Assignment of input-file not only standard redirectmikiya_fujiimikiya_fujiiFeature Requestsver0.2 (closed)5 - Medium5 - MediumClosedFixed
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
287972012-06-19 19:292012-06-19 20:17Shebang for test scriptktnsktnsPatchesver0.2 (closed)5 - Medium5 - MediumClosedNone
287952012-06-19 19:172012-06-29 21:17Continuous allocation for 2 dimensional arrayktnsktnsPatchesver0.2 (closed)5 - Medium5 - MediumClosedFixed
287852012-06-19 17:522012-06-20 01:37-lboost_random is not needed.mikiya_fujiimikiya_fujiiPatchesver0.2 (closed)5 - Medium5 - MediumClosedNone
287812012-06-19 10:392012-06-20 01:39throw in omp-regionmikiya_fujiimikiya_fujiiBugsver0.2 (closed)5 - Medium5 - MediumClosedFixed
285542012-05-29 12:342012-09-28 00:13Analytic second derivative for MNDO and etc.mikiya_fujiimikiya_fujiiFeature Requestsver0.2 (closed)5 - Medium5 - MediumClosedFixed
284402012-05-19 23:542012-05-20 11:20AM1-Dmikiya_fujiimikiya_fujiiFeature Requestsver0.2 (closed)5 - Medium5 - MediumClosedFixed
284392012-05-19 23:542012-05-20 05:01PM3-Dmikiya_fujiimikiya_fujiiFeature Requestsver0.2 (closed)5 - Medium5 - MediumClosedFixed
284192012-05-18 10:502012-05-20 00:03Modify output formatmikiya_fujiimikiya_fujiiFeature Requestsver0.2 (closed)5 - Medium5 - MediumClosedFixed
283582012-05-12 00:002012-05-17 10:49dipole moment of excited statesmikiya_fujiimikiya_fujiiFeature Requestsver0.2 (closed)5 - Medium5 - MediumClosedFixed
281862012-04-27 15:482012-04-27 15:56Always calculate exciton-energiesmikiya_fujiimikiya_fujiiBugsver0.2 (closed)5 - Medium5 - MediumClosedFixed
280732012-04-13 17:582012-04-19 18:15Overlap between AOs including d-orbitalsmikiya_fujiimikiya_fujiiFeature Requestsver0.2 (closed)5 - Medium5 - MediumClosedFixed
279722012-03-30 17:292012-04-01 06:20MO in memory for particle and hole plotmikiya_fujiimikiya_fujiiFeature Requestsver0.2 (closed)5 - Medium5 - MediumClosedNone
279712012-03-30 17:292012-04-02 01:03Exciton binding energymikiya_fujiimikiya_fujiiFeature Requestsver0.2 (closed)5 - Medium5 - MediumClosedNone
279562012-03-27 23:012012-03-30 18:12opemMP-parallel densityLogger and MOLoggermikiya_fujiimikiya_fujiiFeature Requestsver0.2 (closed)5 - Medium5 - MediumClosedFixed
278512012-03-16 23:152012-03-16 23:20Make test output be simplemikiya_fujiimikiya_fujiiPatchesver0.2 (closed)5 - Medium5 - MediumClosedFixed
278482012-03-16 21:252012-03-17 03:00mkl_wrapper::LapackWrapper.* is renamed mikiya_fujiimikiya_fujiiPatchesver0.2 (closed)5 - Medium5 - MediumClosedNone
278292012-03-14 19:452012-03-17 02:19change how to include "mkl.h" mikiya_fujiimikiya_fujiiPatchesver0.2 (closed)5 - Medium5 - MediumClosedFixed
277822012-03-08 22:202012-03-16 22:49van der Waals correctionmikiya_fujiimikiya_fujiiFeature Requestsver0.2 (closed)5 - Medium5 - MediumClosedFixed
276462012-02-23 15:342012-02-27 17:35hole and particle density plotmikiya_fujiimikiya_fujiiFeature Requestsver0.2 (closed)5 - Medium5 - MediumClosedFixed
276382012-02-22 17:302012-02-22 18:45Output coefficients of CIS-eigenvectormikiya_fujiimikiya_fujiiFeature Requestsver0.2 (closed)5 - Medium5 - MediumClosedFixed
275722012-02-17 11:552012-05-17 10:49transition dipole momentmikiya_fujiimikiya_fujiiFeature Requestsver0.2 (closed)5 - Medium5 - MediumClosedFixed
275712012-02-17 11:542012-05-14 17:00dipole moment of ground statemikiya_fujiimikiya_fujiiFeature Requestsver0.2 (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
274752012-02-10 10:252012-02-12 01:14Change specification optimize::SteepestDescent.mikiya_fujiimikiya_fujiiPatchesver0.2 (closed)5 - Medium5 - MediumClosedFixed
274742012-02-10 10:122012-02-10 11:02Create Factory-namespacemikiya_fujiimikiya_fujiiPatchesver0.2 (closed)5 - Medium5 - MediumClosedFixed
274652012-02-09 16:542012-02-12 02:22Show SCF and CIS resultsmikiya_fujiimikiya_fujiiFeature Requestsver0.2 (closed)5 - Medium5 - MediumClosedFixed
273112012-01-30 12:292012-10-10 10:51Same center problem for AO overlapmikiya_fujiimikiya_fujiiPatchesver0.2 (closed)5 - Medium5 - MediumClosedWon't Fix
272762012-01-29 00:212012-01-29 00:22Change the specification of checking MDmikiya_fujiimikiya_fujiiPatchesver0.2 (closed)5 - Medium5 - MediumClosedDuplicate
272752012-01-29 00:202012-01-29 00:23Change the specification of checking MC condition.mikiya_fujiimikiya_fujiiPatchesver0.2 (closed)5 - Medium5 - MediumClosedDuplicate
272322012-01-24 20:252012-02-04 18:30optmikiya_fujiimikiya_fujiiFeature Requestsver0.2 (closed)5 - Medium5 - MediumClosedFixed
271732012-01-19 16:162012-01-29 03:00Error for excited state MC with CNDO2 or INDOmikiya_fujiimikiya_fujiiPatchesver0.2 (closed)5 - Medium5 - MediumClosedNone
271722012-01-19 16:152012-01-29 02:59Error for Excited Dynamics with Zindo/Smikiya_fujiimikiya_fujiiPatchesver0.2 (closed)5 - Medium5 - MediumClosedNone
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
271212012-01-13 09:422012-01-13 10:07Test of translate, rotation and principal axismikiya_fujiimikiya_fujiiFeature Requestsver0.2 (closed)5 - Medium5 - MediumClosedFixed
271202012-01-13 09:422012-01-13 21:15ElectronicFactory classmikiya_fujiimikiya_fujiiPatchesver0.2 (closed)5 - Medium5 - MediumClosedNone
271192012-01-13 09:412012-01-13 21:17SimulationType Enummikiya_fujiimikiya_fujiiPatchesver0.2 (closed)5 - Medium5 - MediumClosedFixed
271122012-01-12 16:162012-01-19 10:39Canonical MCmikiya_fujiimikiya_fujiiFeature Requestsver0.2 (closed)5 - Medium5 - MediumClosedFixed
270962012-01-10 16:012012-01-30 11:09Adiabtic RPMDmikiya_fujiimikiya_fujiiFeature Requestsver0.2 (closed)5 - Medium5 - MediumClosedFixed
270752012-01-07 19:202012-01-10 14:49copy functions of molecule-classmikiya_fujiimikiya_fujiiPatchesver0.2 (closed)5 - Medium5 - MediumClosedFixed
270592012-01-05 23:352012-01-06 00:25NULL check in Malloc and Freemikiya_fujiimikiya_fujiiPatchesver0.2 (closed)5 - Medium5 - MediumClosedFixed
270562012-01-05 13:452012-01-10 15:24update test-resultmikiya_fujiimikiya_fujiiPatchesver0.2 (closed)5 - Medium5 - MediumClosedFixed
270492012-01-04 19:372012-01-04 21:04More parallelization of Cndo2::DoesSCFmikiya_fujiimikiya_fujiiFeature Requestsver0.2 (closed)5 - Medium5 - MediumClosedNone
270482012-01-04 18:242012-01-04 18:49Make function to output date in string-data.mikiya_fujiimikiya_fujiiFeature Requestsver0.2 (closed)5 - Medium5 - MediumClosedNone
270472012-01-04 15:402012-01-06 20:53set heap maxmikiya_fujiimikiya_fujiiFeature Requestsver0.2 (closed)5 - Medium5 - MediumClosedFixed
270272011-12-31 16:522012-11-29 19:21Test for ver0.2mikiya_fujiimikiya_fujiiFeature Requestsver0.2 (closed)5 - Medium5 - MediumClosedFixed
263882011-09-25 23:232012-02-08 12:31Loggermikiya_fujiimikiya_fujiiFeature Requestsver0.2 (closed)5 - Medium5 - MediumClosedNone
291212012-07-27 01:152012-07-27 01:52PrintController::OutputLog(boost::format)mikiya_fujiimikiya_fujiiFeature Requestsver0.2 (closed)44ClosedFixed
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
270462012-01-04 13:372012-01-05 10:41Modify messages for memory usage in MallocerFreermikiya_fujiimikiya_fujiiFeature Requestsver0.2 (closed)44ClosedNone
267502011-11-16 18:512012-02-08 14:22speed up Mndo::GetKNR(KR)Elementmikiya_fujiimikiya_fujiiFeature Requestsver0.2 (closed)44ClosedNone
297612012-10-06 03:352012-10-27 02:23Inputfile is not find or 0 biteokymmoldsmikiya_fujiiBugsver0.2 (closed)33ClosedFixed
297552012-10-06 00:312012-10-06 00:34rename InputParser::AddInputTermsFromStdRedirect & AddInputTermsFromFileokymmoldsokymmoldsPatchesver0.2 (closed)33ClosedFixed
286452012-06-05 23:292012-06-11 19:07Link with LAPACKmikiya_fujiiktnsFeature Requestsver0.2 (closed)33ClosedFixed
286442012-06-05 21:382012-06-05 23:50Refactoring of Makefilemikiya_fujiimikiya_fujiiPatchesver0.2 (closed)33ClosedFixed
271102012-01-12 13:502012-01-12 16:17Rename DoesHogeHoge() to DoHogeHoge()mikiya_fujiimikiya_fujiiPatchesver0.2 (closed)33ClosedFixed
270572012-01-05 13:472012-01-06 03:53Refactoring of welcome and fairwel messagemikiya_fujiimikiya_fujiiPatchesver0.2 (closed)33ClosedFixed
302162012-11-29 10:472012-11-29 10:49Delete trunk/benchmarkmikiya_fujiimikiya_fujiiPatchesver0.2 (closed)22ClosedFixed
287732012-06-18 11:282012-06-18 15:43"explicit" should be added to single argument constructorsmikiya_fujiimikiya_fujiiPatchesver0.2 (closed)22ClosedFixed