NWChem-C

Commit graph

d4bd5d13bf continued translation of files (mostly inp.c) nwchem_old Adam Parler 2024-01-21 00:01:51 -08:00
ec4e4388fe some basic files Adam Parler 2024-01-19 15:38:35 -08:00
ad310f6e65 Initial commit. Basic ignore files. Adam Parler 2024-01-10 11:44:35 -08:00
efd354baf1 Began work on 'gradients' library main Adam Parler 2023-12-06 02:53:51 -08:00
8663962fcf Moved from C++ to C. Updated Python files. Adam Parler 2023-12-06 02:37:36 -08:00
02608cf25a Added some scf files Adam Parler 2023-11-29 23:29:08 -08:00
b08f9320db Merge branch 'adams-apple' of gitlab:aparler/nwchem-convert into main Adam Parler 2023-07-09 13:35:16 -07:00
f6c3a71f6d Added data files Adam Parler 2023-06-14 11:44:49 -07:00
d611aff543 Added .gitignore file Adam Parler 2023-06-14 11:44:26 -07:00
56ec4c5abe add README Adam Parler 2022-11-01 13:30:14 -07:00
7f973deb20 Merge pull request #1 from bigperm17/development Adam Parler 2021-10-03 11:50:01 -07:00
7e8da872a1 Added a few files to begin translating Adam Parler 2021-10-03 11:49:12 -07:00
c0f6f4d1c4 Initial commit Adam Parler 2021-10-03 11:44:57 -07:00