Commit Graph

14 Commits

Author SHA1 Message Date
b487bbebac RO 2019-03-25 23:26:29 +01:00
fb8af9da5a create_ezfio.sh 2019-03-25 23:18:37 +01:00
77785bc060 Merge branch 'master' of github.com:pfloos/srDFT_G2 2019-03-25 22:48:03 +01:00
54ec812690 g09 files 2019-03-25 22:47:41 +01:00
Emmanuel Giner
dae7841d40 Merge branch 'master' of https://github.com/pfloos/srDFT_G2 2019-03-25 22:35:43 +01:00
Emmanuel Giner
5c9993eab9 added README 2019-03-25 22:35:27 +01:00
0ae081b20b g09 input 2019-03-25 22:30:19 +01:00
Emmanuel Giner
4eed464af9 added atoms 2019-03-25 22:17:20 +01:00
Emmanuel Giner
c9621a639f added all z matrix format 2019-03-25 22:12:44 +01:00
Emmanuel Giner
85b0989f17 beginning to enter geometries 2019-03-25 21:35:53 +01:00
Emmanuel Giner
069dd6b554 all Klopper references AE for G2 2019-03-25 21:31:41 +01:00
Emmanuel Giner
0022e17f9d beginning to update dat 2019-03-25 21:29:18 +01:00
Emmanuel Giner
dbaed7b7a6 beginning to update dat 2019-03-25 21:26:39 +01:00
Emmanuel Giner
a75cffe764 beginning to update dat 2019-03-25 21:15:47 +01:00