"wrappers/python/vscode:/vscode.git/clone" did not exist on "a773f1c79e58fc64b9764192321f844fb70c9ef8"
- 07 Oct, 2019 1 commit
-
-
David Dotson authored
This is of immediate need to QCEngine, in particular MolSSI/QCEngine#151
-
- 19 Sep, 2019 1 commit
-
-
peastman authored
-
- 05 Sep, 2019 1 commit
-
-
peastman authored
-
- 22 Aug, 2019 1 commit
-
-
Chengwen Liu authored
-
- 21 Aug, 2019 1 commit
-
-
peastman authored
-
- 20 Aug, 2019 1 commit
-
-
Andreas Krämer authored
-
- 12 Aug, 2019 1 commit
-
-
peastman authored
-
- 08 Aug, 2019 1 commit
-
-
Andreas Krämer authored
-
- 06 Aug, 2019 3 commits
-
-
peastman authored
-
Jeff Wagner authored
-
Andreas Krämer authored
-
- 03 Aug, 2019 1 commit
-
-
Andreas Krämer authored
when the number of molecules does not agree with the number of holders.
-
- 02 Aug, 2019 1 commit
-
-
Andreas Krämer authored
-
- 01 Aug, 2019 1 commit
-
-
peastman authored
-
- 31 Jul, 2019 1 commit
-
-
peastman authored
-
- 30 Jul, 2019 2 commits
- 29 Jul, 2019 1 commit
-
-
peastman authored
-
- 21 Jul, 2019 1 commit
-
-
Jason Swails authored
Don't parse resid, since we don't do anything with it anyway and it is not required to be an integer.
-
- 12 Jul, 2019 1 commit
-
-
peastman authored
-
- 15 Jun, 2019 1 commit
-
-
huangj authored
-
- 06 Jun, 2019 1 commit
-
-
Jing Huang authored
-
- 03 Jun, 2019 1 commit
-
-
Diego Prada authored
Adding alternative names of terminal nucleic acids (5' and 3' as DG5 and DG3). Adding alternative names of atoms H2', H2'', H5' and H5'' for nucleic acids.
-
- 08 May, 2019 1 commit
-
-
peastman authored
-
- 16 Apr, 2019 2 commits
-
-
Peter Eastman authored
-
Peter Eastman authored
-
- 22 Mar, 2019 1 commit
-
-
tic20 authored
-
- 05 Mar, 2019 5 commits
-
-
João Rodrigues authored
-
tic20 authored
-
João Rodrigues authored
-
João Rodrigues authored
-
João Rodrigues authored
-
- 01 Mar, 2019 1 commit
-
-
João Rodrigues authored
Implemented private _addIons method that improves placement of ions in solvated box, specially for membrane systems
-
- 27 Feb, 2019 3 commits
- 26 Feb, 2019 4 commits