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mirror of https://github.com/LCPQ/quantum_package synced 2024-12-23 12:56:14 +01:00
quantum_package/scripts
2015-04-20 18:42:52 +02:00
..
ezfio_interface Add all the mising file... 2015-04-20 18:42:52 +02:00
.gitignore Auto-update README.rst 2014-04-04 00:41:43 +02:00
build_modules.sh Fixing .gitignore 2015-04-13 13:19:54 +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
create_executables_list.sh Improved Ocaml makefile 2015-03-26 01:35:50 +01:00
create_gitignore.sh Fixing .gitignore 2015-04-13 13:19:54 +02:00
create_Makefile_depend.sh Lots of cleaning in scripts and Makefiles 2015-03-26 00:33:45 +01:00
create_Makefile.sh Lots of cleaning in scripts and Makefiles 2015-03-26 00:33:45 +01:00
create_module.sh Lots of cleaning in scripts and Makefiles 2015-03-26 00:33:45 +01:00
create_Needed_modules.sh Lots of cleaning in scripts and Makefiles 2015-03-26 00:33:45 +01:00
create_rst_templates.sh Cleaning 2015-04-10 19:32:35 +02:00
docopt.py Add docopt for a beter ei_handler.py cli 2015-04-02 10:28:44 +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
install_curl.sh Lots of cleaning in scripts and Makefiles 2015-03-26 00:33:45 +01:00
install_emsl.sh Lots of cleaning in scripts and Makefiles 2015-03-26 00:33:45 +01:00
install_ezfio.sh Lots of cleaning in scripts and Makefiles 2015-03-26 00:33:45 +01:00
install_irpf90.sh Get IRP from LCPQ 2015-04-13 13:21:58 +02:00
install_m4.sh Install IRPF90 and EZFIO from LCPQ oprganization on GitHub 2015-01-19 16:11:36 +01:00
install_ocaml.sh Merge branch 'master' of github.com:scemama/quantum_package 2015-03-26 01:02:12 +01:00
install_resultsFile.sh Install IRPF90 and EZFIO from LCPQ oprganization on GitHub 2015-01-19 16:11:36 +01:00
install_zlib.sh Fix a.out (it was in install_zlib.sh) 2015-03-25 17:03:28 +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
prepare_ezfio.sh Add directory for ezfio_interface, first apparition of ezfio_generate_ocaml 2015-03-27 10:44:39 +01:00
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 Add directory for ezfio_interface, first apparition of ezfio_generate_ocaml 2015-03-27 10:44:39 +01:00
run_Makefile_global.sh Fixed IRPF90 environment variable 2015-03-27 09:45:37 +01:00
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
upgrade_ezfio.sh Lots of cleaning in scripts and Makefiles 2015-03-26 00:33:45 +01:00
upgrade_irpf90.sh Upgrade irpf90 2015-03-25 11:42:15 +01:00