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mirror of https://github.com/LCPQ/quantum_package synced 2024-11-03 20:54:00 +01:00
quantum_package/scripts
Anthony Scemama fe56560a9c Merge branch 'master' into feature/4idx
Conflicts:
	.travis.yml
	src/AO_Basis/aos.irp.f
2017-09-25 19:12:41 +02:00
..
compilation Fixed GPI2 2017-08-15 17:56:23 +02:00
ezfio_interface Added qp_find_pi_space.ml 2017-09-19 18:59:32 +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
.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 Revert "merge with main branch" 2017-04-20 08:48:06 +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