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2016-12-21
17:21
molds
mikiya_fujii
[Ticket] Schließungsdatum von #29965 wurde auf 2016-12-21 17:21 gesetzt
17:21
molds
mikiya_fujii
[Ticket] Change Status of #29965: Offen -> Geschlossen
17:21
molds
mikiya_fujii
[Ticket] Add Comment on ticket #29965
parallelization is implemented r1838
2016-12-15
17:29
molds
mikiya_fujii
[SVN] Commit revision 1838
elapsed time of each ehrenfest step is output. #30947 #29965
2016-12-14
09:38
molds
mikiya_fujii
[SVN] Commit revision 1837
Molecule::CalcDistanceAtomsEpcs is hybrid(MPI/openMP) re-parallelized. #30947 #29965
09:22
molds
mikiya_fujii
[SVN] Commit revision 1836
Molecule::CalcDistanceEpcs is hybrid(MPI/openMP) parallelized. #30947 #29965
09:18
molds
mikiya_fujii
[SVN] Commit revision 1835
Molecule::CalcDistanceAtoms is hybrid(MPI/openMP) re-parallelized. #30947 #29965
09:14
molds
mikiya_fujii
[SVN] Commit revision 1834
Molecule::CalcDistanceAtoms is hybrid(MPI/openMP) parallelized. Molecule::CalcDistanceEpcs and Mo...
06:42
molds
mikiya_fujii
[SVN] Commit revision 1833
Cndo2::CalcOverlapAOsWithAnotherConfiguration is refactored. #30947 #29965
06:33
molds
mikiya_fujii
[SVN] Commit revision 1832
ZindoS::CalcOverlapSingletSDsWithAnotherElectronicStructure is parallelized. #30947 #29965
06:27
molds
mikiya_fujii
[SVN] Commit revision 1831
bug in Cndo2::CalcOverlapAOsWithAnotherConfiguration is fixed. #30947 #29965
2016-12-13
06:31
molds
mikiya_fujii
[SVN] Commit revision 1830
mpi-parallelization is modified. #31814
2016-12-12
14:39
molds
mikiya_fujii
[SVN] Commit revision 1829
Cndo2::CalcOverlapAOsWithAnotherConfiguration is MPI-palallelized. #30947 #29965
13:06
molds
mikiya_fujii
[SVN] Commit revision 1828
Refoctoring, Lapack::Dsysv is overloaded to protect overwite matrix.
13:00
molds
mikiya_fujii
[SVN] Commit revision 1827
test/h2o-dimer_am1d_ehrenfest.dat is updates to one with -O0 option resutl.
12:31
molds
mikiya_fujii
[SVN] Commit revision 1826
Ehrenfest: ZindoS::CalcEtaMatrixForce and ZindoS::CalcZMatrixForce are MPI-parallelized. Bug in Z...
12:27
molds
mikiya_fujii
[Ticket] Change Status of #29965: Geschlossen -> Offen
12:27
molds
mikiya_fujii
[Ticket] Add Comment on ticket #29965
re-open for parallelization
2016-08-30
01:25
molds
mikiya_fujii
[Ticket] Add Comment on ticket #36532
Dear Guillaume, [[BR]] [[BR]] Thank you for your implementation@github which I will see and mer...
2016-08-24
01:27
molds
mikiya_fujii
[Ticket] Add Comment on ticket #36532
Thank you for your logging to compile MolDS.[[BR]][[BR]] > Another question related to develop...