MolDS

dev: 2013年2月 (件名)

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開始: 2013年 2月 1日 (金) 11:31:28 JST
最終: 2013年 2月 28日 (木) 20:55:09 JST
記事数: 31

• [Molds-dev] [molds] #29958: Unpaired electron population at Mulliken type   SourceForge Ticket System
• [Molds-dev] [molds] #30045: GetForce returns NaN   SourceForge Ticket System
• [Molds-dev] [molds] #30045: GetForce returns NaN   SourceForge Ticket System
• [Molds-dev] [molds] #30045: GetForce returns NaN   SourceForge Ticket System
• [Molds-dev] [molds] #30218: Make `make depend' needless   SourceForge Ticket System
• [Molds-dev] [molds] #30331: Check size of BLAS/LAPACK int   SourceForge Ticket System
• [Molds-dev] [molds] #30409: Integrate Blas/Lapack_GNU.cpp   SourceForge Ticket System
• [Molds-dev] [molds] #30557: Use boost::math::factorial   SourceForge Ticket System
• [Molds-dev] [molds] #30560: Use dsyrk in CalcOrbitalElectronPopulation   SourceForge Ticket System
• [Molds-dev] [molds] #30566: Use cblas routines only in BLAS wrapper   SourceForge Ticket System
• [Molds-dev] [molds] #30584: Change working directory to the test directory at the first of the test script   SourceForge Ticket System
• [Molds-dev] [molds] #30605: RMS density change is not RMS   SourceForge Ticket System
• [Molds-dev] [molds] #30605: RMS density change is not RMS   SourceForge Ticket System
• [Molds-dev] [molds] #30617: Refactoring how to calculate dipole moments   SourceForge Ticket System
• [Molds-dev] [molds] #30654: Refactoring of ZIDNO/S to speed up   SourceForge Ticket System
• [Molds-dev] [molds] #30654: Refactoring of ZIDNO/S to speed up   SourceForge Ticket System
• [Molds-dev] [molds] #30662: Make Atom::valence member variable to be const reference to static member variable   SourceForge Ticket System
• [Molds-dev] [molds] #30670: Refactoring calculation (transition) dipole moment   SourceForge Ticket System
• [Molds-dev] [molds] #30670: Refactoring calculation (transition) dipole moment   SourceForge Ticket System
• [Molds-dev] [molds] #30670: Refactoring calculation (transition) dipole moment   SourceForge Ticket System
• [Molds-dev] [molds] #30688: Calculate total energy in each SCF iteration   SourceForge Ticket System
• [Molds-dev] [molds] #30688: Calculate total energy in each SCF iteration   SourceForge Ticket System
• [Molds-dev] [molds] #30749: Initialization of arraies   SourceForge Ticket System
• [Molds-dev] [molds] #30749: Initialization of arraies   SourceForge Ticket System
• [Molds-dev] [molds] #30786: Memory leak in calculating the unpaired electron population   SourceForge Ticket System
• [Molds-dev] [molds] #30786: Memory leak in calculating the unpaired electron population   SourceForge Ticket System
• [Molds-dev] [molds] #30786: Memory leak in calculating the unpaired electron population   SourceForge Ticket System
• [Molds-dev] [molds] #30786: Memory leak in calculating the unpaired electron population   SourceForge Ticket System
• [Molds-dev] [molds] #30786: Memory leak in calculating the unpaired electron population   SourceForge Ticket System
• [Molds-dev] [molds] #30829: Speed up of calculating the force   SourceForge Ticket System
• [Molds-dev] [molds] #30862: Abort BFGS optimization if RFO scaling factor is too large   SourceForge Ticket System

最新記事の日付: 2013年 2月 28日 (木) 20:55:09 JST
書庫作成日時: 2013年 2月 28日 (木) 20:55:25 JST

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