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mirror of https://github.com/LCPQ/quantum_package synced 2024-12-23 04:43:50 +01:00
quantum_package/scripts
2017-07-11 07:18:59 +02:00
..
compilation Remove irpf90.make in dependency 2017-01-26 07:59:28 -06:00
ezfio_interface Typo 2017-07-11 07:18:59 +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
.gitignore
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 "Bugs to fix (#50)" (#51) 2017-04-20 08:45:56 +02:00
get_basis.sh
make_binary.sh
perturbation.py
qp_bitmasks.py
qp_set_frozen_core.py Added -q to qp_set_frozen_core 2016-09-09 19:31:30 +02:00
save_current_mos.sh