Skip to content
GitLab
Menu
Why GitLab
Pricing
Contact Sales
Explore
Why GitLab
Pricing
Contact Sales
Explore
Sign in
Get free trial
Molcas
OpenMolcas
Forks
73 forks: 57 public, 1 internal, and 15 private
Created date
Vincent /
OpenMolcas
add Dockerfile to run OpenMolcas in Docker (previous one was outdated and did...
0
Updated
May 15, 2020
0
0
0
0
Updated
May 15, 2020
Imaad Ansari /
OpenMolcas
BUG: change to integer literals of mpi_arg type
0
Updated
Aug 19, 2020
0
0
0
0
Updated
Aug 19, 2020
Jakob Staab /
OpenMolcas
Add test
0
Updated
May 16, 2024
0
0
0
0
Updated
May 16, 2024
Werner D /
OpenMolcas
Merge remote-tracking branch 'origin/master' into mpi_interface_bugfix
0
Updated
Jan 23, 2021
0
0
0
0
Updated
Jan 23, 2021
Sergey Bokarev /
OpenMolcas
Merge remote-tracking branch 'origin/master' into set_back_neci_commit
0
Updated
Sep 14, 2022
0
0
0
1
Updated
Sep 14, 2022
IJustDev /
OpenMolcas
Merge branch 'master' into caspt2-MPI-bugfix
0
Updated
Mar 13, 2020
0
0
0
0
Updated
Mar 13, 2020
Shijie Xiong /
OpenMolcas
Update DMRG-CASPT2 test
0
Updated
Mar 04, 2020
0
0
0
0
Updated
Mar 04, 2020
obokareva /
OpenMolcas
Merge remote-tracking branch 'origin/master' into outofp
0
Updated
Feb 12, 2020
0
0
0
0
Updated
Feb 12, 2020
Yingjin Ma /
OpenMolcas
update prrotmat
0
Updated
May 28, 2020
0
0
0
0
Updated
May 28, 2020
Michael Stefanchik /
OpenMolcas
Merge remote-tracking branch 'origin/master' into aniso
0
Updated
Jan 13, 2020
0
0
0
0
Updated
Jan 13, 2020
Jesus /
OpenMolcas
Regenerate tests
0
Updated
Dec 28, 2019
0
0
0
0
Updated
Dec 28, 2019
lcyyork /
OpenMolcas
Update time estimates
0
Updated
Nov 12, 2019
0
0
0
0
Updated
Nov 12, 2019
NeatNerdPrime /
OpenMolcas
Fix bug with symmetry detection
0
Updated
Nov 10, 2019
0
0
0
0
Updated
Nov 10, 2019
Cristina E. González-Espinoza /
OpenMolcas
Fix input to verification.
0
Updated
Jan 27, 2022
0
0
0
0
Updated
Jan 27, 2022
Michael Böhme /
OpenMolcas
Added the ability to gracefully shutdown RASSCF by creating a 'STOP' file in...
0
Updated
Sep 13, 2019
0
0
0
0
Updated
Sep 13, 2019
Christian Ritterhoff /
OpenMolcas
Fix lbend bug.
0
Updated
Dec 12, 2019
0
0
0
0
Updated
Dec 12, 2019
santi921 /
OpenMolcas
Update checkfile 819.
0
Updated
Aug 07, 2019
0
0
0
0
Updated
Aug 07, 2019
Sangwon Connell /
OpenMolcas
Fix logic
0
Updated
Jun 12, 2019
0
0
0
0
Updated
Jun 12, 2019
Quan Phung /
OpenMolcas
Add test
0
Updated
May 16, 2024
0
0
0
0
Updated
May 16, 2024
thaiscott1 /
OpenMolcas
Merge branch 'master' of gitlab.com:Molcas/OpenMolcas into write_RASORB_every_iter
0
Updated
May 25, 2022
0
0
0
0
Updated
May 25, 2022
Prev
1
2
3
Next