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mirror of https://github.com/LCPQ/quantum_package synced 2024-07-23 03:07:34 +02:00
quantum_package/scripts
2018-12-09 17:54:54 +01:00
..
compilation Fix: Pass user lib (the one in conf.cfg) to IRP.f90 (#246) 2018-12-09 17:54:54 +01:00
ezfio_interface Changes for OCaml zmq-5.0 2018-05-09 11:31:32 +02:00
module Merged scemama-master 2017-04-20 19:18:16 +02:00
pseudo Fixed last merge (#217) 2017-12-19 13:48:21 +01:00
utility Added character tables 2017-12-15 19:24:18 +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 output variables 2018-01-05 14:38:32 +00:00
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
qp_upgrade_ocaml.sh Fix for #227 (#228) 2018-01-22 02:45:17 +01:00
save_current_mos.sh Error in bash scripts 2015-09-22 09:08:26 +02:00