Ticket List (14 matches)

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IDOpen DateLast UpdateSummaryOwnerReporterTypeMileStoneComponentPrioritySeverityStatusResolution
308622013-02-28 20:552013-12-19 10:47Abort BFGS optimization if RFO scaling factor is too largektnsktnsPatchesver0.4.066OpenNone
270542012-01-05 09:492012-11-28 14:08Smart pointamikiya_fujiimikiya_fujiiPatches5 - Medium5 - MediumOpenNone
305622013-01-22 19:062013-01-22 19:06Add dsyrk routine into BLAS wrapperktnsktnsPatches45 - MediumOpenNone
302342012-12-01 13:342012-12-01 13:34Use BLAS routines in BFGS optimizationktnsktnsPatches44OpenNone
291252012-07-27 08:302012-07-27 08:30Use [F,P] as DIIS error vector for SCFktnsPatches44OpenNone
291222012-07-27 01:562012-07-27 01:56Create DIIS-clas for SCFmikiya_fujiiPatches44OpenNone
311282013-04-10 10:062013-04-10 10:06Use task OpenMP clausektnsPatches35 - MediumOpenNone
311272013-04-10 09:302013-04-10 09:30Use collapse OpenMP clausektnsPatches35 - MediumOpenNone
306622013-02-02 11:122013-02-02 11:12Make Atom::valence member variable to be const reference to static member variablektnsPatches33OpenNone
303822012-12-27 15:232012-12-27 15:36Remove -openmp2-report compiler flagktnsktnsPatches33OpenNone
289152012-07-05 05:222012-07-16 17:08GDIIS optimization algorithmktnsktnsPatches33OpenNone
303582012-12-23 11:032012-12-23 11:03Renaming function `SatisfyConvergenceCriterion'ktnsPatches22OpenNone
288272012-06-22 15:422012-06-22 15:42Golden section search algorithmktnsPatches22OpenNone
309562013-03-14 02:312013-12-19 10:27Use iterator in InputParserktnsPatches1 - Lowest1 - LowestOpenNone