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quantum_package/scripts
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Anthony Scemama 1f8e09e93f FIxed GAMESS interface
2018-07-03 14:46:02 +02:00
..
compilation Python2 2018-05-02 19:52:23 +02:00
ezfio_interface FIxed GAMESS interface 2018-07-03 14:46:02 +02:00
module python2 2018-04-30 18:43:32 +02:00
pseudo python2 2018-04-30 18:43:32 +02:00
utility python2 2018-04-30 18:43:32 +02:00
.gitignore Remove check_dependencies.sh, is no handle by module_handler.py 2015-05-04 15:53:42 +02:00
entanglement.py python2 2018-04-30 18:43:32 +02:00
generate_h_apply.py python2 2018-04-30 18:43:32 +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 python2 2018-04-30 18:43:32 +02:00
qp_bitmasks.py python2 2018-04-30 18:43:32 +02:00
qp_set_frozen_core.py Davidson N_states_diag incrementing 2018-05-30 13:46:48 +02:00
qp_upgrade_ocaml.sh Upgrade to OCaml 4.06 and Core 0.10 2018-01-22 01:20:06 +01:00
save_current_mos.sh python2 2018-04-30 18:43:32 +02:00