4
1
mirror of https://github.com/pfloos/quack synced 2024-07-19 09:23:36 +02:00
Commit Graph

8 Commits

Author SHA1 Message Date
Pierre-Francois Loos
1c7a98ba0e fix bug in PyDuck 2023-12-14 11:16:44 +01:00
Antoine Marie
889ad27c20 fixing nuclear energy 2023-12-14 10:14:00 +01:00
2ae4f95500 new format for integrals write in file 2023-09-08 11:02:51 +02:00
324298fd84 double float precision integrals 2023-09-08 10:04:04 +02:00
c19aff3a32 change multiplicty option to 2S+1 2023-09-06 13:33:41 +02:00
8ffa4ff1a8 fix python script for open shell 2023-09-06 11:40:26 +02:00
65ddd8df20 remove MO.dat 2023-07-18 09:20:07 +02:00
989e0b9bd8 remove qcaml for pyscf 2023-07-03 14:33:48 +02:00