MolDS

dev: 2013年1月 (発信者)

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開始: 2013年 1月 4日 (金) 00:15:49 JST
最終: 2013年 1月 30日 (水) 00:03:25 JST
記事数: 44

• [Molds-dev] Fwd: [molds] #30409: Integrate Blas/Lapack_GNU.cpp   Mikiya Fujii
• [Molds-dev] [Patch] Unpaired_electron_population   Mikiya Fujii
• [Molds-dev] [molds] #30560: Use dsyrk in CalcOrbitalElectronPopulation   Mikiya Fujii
• [Molds-dev] On the manual and test input about the UEP   Mikiya Fujii
• [Molds-dev] Fwd: [molds] #30560: Use dsyrk in CalcOrbitalElectronPopulation   Katsuhiko Nishimra
• [Molds-dev] [Patch] Unpaired_electron_population   Okuyama
• [Molds-dev] [Patch] Unpaired_electron_population   Okuyama
• [Molds-dev] On the manual and test input about the UEP   Okuyama
• [Molds-dev] On the manual and test input about the UEP   Okuyama
• [Molds-dev] [molds] #30554: Output on/off of DIIS and "eMax"   SourceForge Ticket System
• [Molds-dev] [molds] #30557: Use boost::math::factorial   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] #30562: Add dsyrk routine into BLAS wrapper   SourceForge Ticket System
• [Molds-dev] [molds] #30554: Output on/off of DIIS and "eMax"   SourceForge Ticket System
• [Molds-dev] [molds] #30566: Use cblas routines only in BLAS wrapper   SourceForge Ticket System
• [Molds-dev] [molds] #30566: Use cblas routines only in BLAS wrapper   SourceForge Ticket System
• [Molds-dev] [molds] #30582: LDFLAGS from environment variable   SourceForge Ticket System
• [Molds-dev] [molds] #30583: CFLAGS from environment variable   SourceForge Ticket System
• [Molds-dev] [molds] #30218: Make `make depend' needless   SourceForge Ticket System
• [Molds-dev] [molds] #30218: Make `make depend' needless   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] #30584: Change working directory to the test directory at the first of the test script   SourceForge Ticket System
• [Molds-dev] [molds] #30218: Make `make depend' needless   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] #30566: Use cblas routines only in BLAS wrapper   SourceForge Ticket System
• [Molds-dev] [molds] #30595: Abort with independent DIIS equations   SourceForge Ticket System
• [Molds-dev] [molds] #30596: Speed up Mndo::CalcMatrix   SourceForge Ticket System
• [Molds-dev] [molds] #30596: Speed up Mndo::CalcCISMatrix   SourceForge Ticket System
• [Molds-dev] [molds] #30596: Speed up Mndo::CalcCISMatrix   SourceForge Ticket System
• [Molds-dev] [molds] #30605: RMS density change is not RMS   SourceForge Ticket System
• [Molds-dev] [molds] #29958: Unpaired electron population at Mulliken type   SourceForge Ticket System
• [Molds-dev] [molds] #29958: Unpaired electron population at Mulliken type   SourceForge Ticket System
• [Molds-dev] [molds] #30617: Refactoring how to calculate dipole moments   SourceForge Ticket System
• [Molds-dev] [molds] #30617: Refactoring how to calculate dipole moments   SourceForge Ticket System
• [Molds-dev] [molds] #30618: Cache totalNumberAOs in each method to speed up   SourceForge Ticket System
• [Molds-dev] [molds] #30621: Inline expand for small methods   SourceForge Ticket System
• [Molds-dev] [molds] #30618: Cache totalNumberAOs in each method to speed up   SourceForge Ticket System
• [Molds-dev] [molds] #27832: NULL check is carried in debug-build.   SourceForge Ticket System
• [Molds-dev] [molds] #27832: NULL check is carried in debug-build.   SourceForge Ticket System
• [Molds-dev] [molds] #30617: Refactoring how to calculate dipole moments   SourceForge Ticket System
• [Molds-dev] [molds] #27832: NULL check is carried in debug-build.   SourceForge Ticket System
• [Molds-dev] [molds] #27832: NULL check is carried in debug-build.   SourceForge Ticket System

最新記事の日付: 2013年 1月 30日 (水) 00:03:25 JST
書庫作成日時: 2013年 1月 30日 (水) 00:03:39 JST

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