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mirror of https://github.com/LCPQ/quantum_package synced 2024-12-23 04:43:50 +01:00
quantum_package/scripts
2016-06-06 11:23:04 +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 Removed critical regions 2016-06-06 11:23:04 +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