Anthony Scemama 7ebc2ac896 Fixed last merge (#217) ... * Fixes #211 * Removed debug print * Revert input coordinates * Fix MPI		2017-12-19 13:48:21 +01:00
..
compilation	Removed GPI2	2017-11-27 12:05:51 +01:00
ezfio_interface	MPI with I/O	2017-11-28 14:20:17 +01:00
module	Merged scemama-master	2017-04-20 19:18:16 +02:00
pseudo	Fixed last merge (#217)	2017-12-19 13:48:21 +01:00
utility	Added character tables	2017-12-15 19:24:18 +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	Removed parallelism in old selection	2017-12-08 10:48:09 +01:00
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