compilation
|
Fixed GPI2
|
2017-08-15 17:56:23 +02:00 |
ezfio_interface
|
Fixed pseudo in gamess file
|
2017-07-24 16:26:01 +02:00 |
module
|
Merged scemama-master
|
2017-04-20 19:18:16 +02:00 |
pseudo
|
Working with the new emsl
|
2016-01-15 10:26:42 +01:00 |
utility
|
Removed git --local in is_master_repository.py
|
2015-11-13 09:36:04 +01:00 |
generate_h_apply.py
|
Revert "Bugs to fix (#50)" (#51)
|
2017-04-20 08:45:56 +02:00 |
get_basis.sh
|
Some modif for the interface with qmcpack
|
2016-01-14 15:18:31 +01:00 |
make_binary.sh
|
QPACKAGE_ROOT => QP_ROOT =D
|
2015-06-08 14:49:10 +02:00 |
perturbation.py
|
QPACKAGE_ROOT => QP_ROOT =D
|
2015-06-08 14:49:10 +02:00 |
qp_bitmasks.py
|
Added qpackage run command
|
2014-06-27 01:26:46 +02:00 |
qp_set_frozen_core.py
|
Added -q to qp_set_frozen_core
|
2016-09-09 19:31:30 +02:00 |
save_current_mos.sh
|
Error in bash scripts
|
2015-09-22 09:08:26 +02:00 |