Anthony Scemama 42a5b96b0d Added Energy to qp_run		2016-07-28 18:53:24 +02:00
..
compilation	Removed all libint stuff	2016-06-03 11:12:41 +02:00
ezfio_interface	Removed all libint stuff	2016-06-03 11:12:41 +02:00
module	Minor change	2016-02-23 09:21:29 +01:00
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
.gitignore	Remove check_dependencies.sh, is no handle by module_handler.py	2015-05-04 15:53:42 +02:00
entanglement.py	Added the Orbital Entanglement plugin, added the list of active orbitals in bitmasks.irp.f.	2016-02-12 12:27:13 +01:00
generate_h_apply.py	Added Energy to qp_run	2016-07-28 18:53:24 +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	Accelerated S^2	2015-07-14 01:06:28 +02:00
save_current_mos.sh	Error in bash scripts	2015-09-22 09:08:26 +02:00