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mirror of https://github.com/LCPQ/quantum_package synced 2024-11-03 20:54:00 +01:00
quantum_package/scripts
2015-12-01 12:34:24 +01:00
..
compilation configure OK with ZeroMQ 2015-12-01 12:34:24 +01:00
ezfio_interface Spelling in comments 2015-07-25 00:18:19 +02:00
module configure OK with ZeroMQ 2015-12-01 12:34:24 +01:00
pseudo Option to add automatically dummy basis functions 2015-11-17 22:25:26 +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
generate_h_apply.py Accelerated diagonal element calculations in PT2 2015-11-24 17:01:09 +01:00
get_basis.sh Corrected bug with multiple basis sets 2015-11-22 15:18:51 +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