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工作室歷史: MolDS

2013-07-18
00:48
MolDS
ktns
[Git] commits were pushed to 'MolDS' (current: 11b47906b6cb2f922ed4b9294878829a27823c9d)
Supporing Boost-1.46.0 #31728 git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1403 11...
00:48
MolDS
ktns
[Git] commits were pushed to 'MolDS' (current: e11f00f238b87e299e8a71e20db90cda2e251140)
Merge trunk into branch mpi-cis. #31588 git-svn-id: https://svn.sourceforge.jp/svnroot/molds/bra...
2013-07-03
22:16
MolDS
ktns
[Git] commits were pushed to 'MolDS' (current: a3ebb27e494a66b650949cf4997d82f8da288419)
Don't take DIIS step if DIIS matrix is singular. #30595
22:16
MolDS
ktns
[Git] 從 MolDS 刪除分支 refs/heads/kvpair_exception
22:14
MolDS
ktns
[Git] commits were pushed to 'MolDS' (current: a3ebb27e494a66b650949cf4997d82f8da288419)
Don't take DIIS step if DIIS matrix is singular. #30595
21:39
MolDS
ktns
[Git] commits were pushed to 'MolDS' (current: d88da4b2eb46c975d84f0c129e42d00956d8b7a3)
Don't take DIIS step if DIIS matrix is singular. #30595
2013-06-26
14:48
MolDS
ktns
[Git] commits were pushed to 'MolDS' (current: 6f4869daf6c081572d6ef3f9f7a16e14bd050d5b)
Merge trunk into branch gdiis. #28915 git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branc...
14:40
MolDS
ktns
[Git] commits were pushed to 'MolDS' (current: e530512005677a6a83cbff3ce43e5e74cd321be9)
Fix typo git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1370 1136aad2-a195-0410-b898...
14:40
MolDS
ktns
[Git] commits were pushed to 'MolDS' (current: f0be4549046b93203758692755f4d8615124fad3)
ZindoS::CalcCISProperties is parallelized by openMP and MPI. #31588 git-svn-id: https://svn.sour...
2013-06-03
10:16
MolDS
ktns
New commit 4ad86e03056dbe582c11186ebc319e4d6934cec5 on MolDS
Merge trunk into branch gdiis. #28915
2013-03-13
17:27
MolDS
ktns
New commit 7d4f2033a6d316198bf50db297b352c22c29a86b on MolDS
Second algorithm using BLAS for Mndo::GetAuxiliaryKNRKRElement is added, which is commneted out y...
16:44
MolDS
ktns
New commit ad87d8a7165c1419274408a301d0b518b9dbd7ea on MolDS
tmp
12:22
MolDS
ktns
New commit 66dfc32adc89e6e8c5f48825093830b030b7f5c8 on MolDS
Create a new test for multiple molecules.
10:22
MolDS
ktns
New commit ce6e2e90c384e2e0c03edfa94c710952baa3631f on MolDS
Defined abstract class IMolecule
2013-03-12
17:46
MolDS
ktns
New commit 4caeccf702bbe3a80a4ed6ec6df70567e3b5e9e2 on MolDS
test file which does not used in test-suite is modified.
17:43
MolDS
ktns
New commit e02f8c28e604907bdb3cf487fb315ae156add31e on MolDS
test file which does not used in test-suite is modified.
2013-03-11
19:12
MolDS
ktns
New commit ad046022f5844237e7b551cef050b48f79f635ae on MolDS
Some methods are inlined. #30621
2013-03-10
22:54
MolDS
ktns
New commit f7bbdbe798ae6fd612a4debe16af2c3437e268a1 on MolDS
Some methods in Atom-class are inlined. #30621
22:27
MolDS
ktns
New commit 0c31842ba06dbe7b704cf662b6fc930d874d5eb6 on MolDS
Revert to r1316
22:25
MolDS
ktns
New commit f9b0d4c86dc49fc52f96b2f63e7b2d3064c9f35a on MolDS
refactoring Blas::Dgemmm #30829