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mirror of https://github.com/LCPQ/quantum_package synced 2024-11-13 01:23:57 +01:00
quantum_package/scripts
2015-04-30 14:27:32 +02:00
..
create Move create script into create folder 2015-04-30 14:10:41 +02:00
ezfio_interface Put prepare_ezfio.sh in ezfio_interface/ 2015-04-30 14:27:32 +02:00
install Move install script into install folder 2015-04-30 14:05:04 +02:00
upgrade Move upgrade script into upgrade folder 2015-04-30 14:20:08 +02:00
.gitignore Auto-update README.rst 2014-04-04 00:41:43 +02:00
build_modules.sh Move create script into create folder 2015-04-30 14:10:41 +02:00
check_dependencies.sh Lots of cleaning in scripts and Makefiles 2015-03-26 00:33:45 +01:00
clean_modules.sh Add EZFIO.cfg in determinants 2015-04-20 15:20:38 +02:00
ezfio_with_default.py Remove WILL be DELETED and change ezfio_with_default in concequance 2015-04-20 09:11:12 +02:00
fetch_from_web.py Removed wget requirement 2014-04-07 15:45:19 +02:00
follow_output.py Added ocaml qp_run 2014-10-10 00:26:49 +02:00
generate_h_apply.py Add EZFIO.cfg in determinants 2015-04-20 15:20:38 +02:00
get_basis.sh Lots of cleaning in scripts and Makefiles 2015-03-26 00:33:45 +01:00
make_binary.sh Fixed static build with gfortran 2015-03-26 02:16:12 +01:00
perturbation.py Accelerated Davidson 2014-05-17 14:20:55 +02:00
qp_bitmasks.py Added qpackage run command 2014-06-27 01:26:46 +02:00
qp_include.sh Lots of cleaning in scripts and Makefiles 2015-03-26 00:33:45 +01:00
qp_set_frozen_core.py Better estimated PT2 2015-03-16 18:30:38 +01:00
run_Makefile_common.sh Put prepare_ezfio.sh in ezfio_interface/ 2015-04-30 14:27:32 +02:00
run_Makefile_global.sh Move upgrade script into upgrade folder 2015-04-30 14:20:08 +02:00
run_tests.py Merge branch 'master' of github.com:LCPQ/quantum_package 2014-05-24 03:29:35 +02:00
save_current_mos.sh Lots of cleaning in scripts and Makefiles 2015-03-26 00:33:45 +01:00
update_README.py Fix update_README.py 2015-04-13 10:55:48 +02:00