10
0
mirror of https://github.com/LCPQ/quantum_package synced 2024-11-03 20:54:00 +01:00
quantum_package/scripts
2016-10-06 17:00:20 +02:00
..
compilation Moved n_states_diag 2016-09-25 23:28:25 +02:00
ezfio_interface Repaired broken tests 2016-10-06 17:00:20 +02:00
module Repaired broken tests 2016-10-06 17:00:20 +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 Include S^2 inside davidson 2016-09-27 15:55:38 +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