Commit Graph

12 Commits

Author SHA1 Message Date
Emmanuel Giner
b6c7fc0e52 added all new fresh clean data with the QP for G2 Klopper 2019-03-27 10:56:27 +01:00
Emmanuel Giner
4df2a3942f updated qp_create_ezfio_from_g09_zmat 2019-03-26 14:26:07 +01:00
Emmanuel Giner
bf63ae8528 added the g09_zmat_to_qp_create.py 2019-03-26 14:03:27 +01:00
6583b8441d VDZ and VTZ 2019-03-26 11:00:25 +01:00
c0668b109b g09 output files 2019-03-26 09:43:37 +01:00
e03d3c15ab g09 output files 2019-03-26 09:43:27 +01:00
b487bbebac RO 2019-03-25 23:26:29 +01:00
fb8af9da5a create_ezfio.sh 2019-03-25 23:18:37 +01:00
54ec812690 g09 files 2019-03-25 22:47:41 +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