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mirror of https://github.com/LCPQ/quantum_package synced 2024-12-22 20:35:19 +01:00
quantum_package/scripts
2014-05-14 00:01:31 +02:00
..
.gitignore Auto-update README.rst 2014-04-04 00:41:43 +02:00
archive_ezfio.sh Renamed test inputs 2014-04-07 15:18:11 +02:00
check_dependencies.sh Make all_modules and all_clean compiles in parallel. Added NEEDED_MODULES 2014-04-03 11:19:41 +02:00
create_Makefile_depend.sh Make all_modules and all_clean compiles in parallel. Added NEEDED_MODULES 2014-04-03 11:19:41 +02:00
create_Makefile.sh Added checked inputs for tests. 2014-04-07 00:39:18 +02:00
create_module.sh Renamed test inputs 2014-04-07 15:18:11 +02:00
create_Needed_modules.sh Simplified Makefiles 2014-04-03 13:59:51 +02:00
create_rst_templates.sh Auto-update README.rst 2014-04-04 00:41:43 +02:00
create_test_ref.sh Added Mono Integrals. Works in openMP 2014-04-16 22:16:32 +02:00
create_tests_Makefile.sh Ezfio_files tested 2014-04-07 17:36:19 +02:00
fetch_from_web.py Removed wget requirement 2014-04-07 15:45:19 +02:00
generate_h_apply.py CISD OK 2014-05-13 13:57:58 +02:00
prepare_module.sh Added scripts 2014-04-03 01:45:22 +02:00
run_tests.py Added Mono Integrals. Works in openMP 2014-04-16 22:16:32 +02:00
save_current_mos.sh Added scripts 2014-04-03 01:45:22 +02:00
unarchive_ezfio.sh Tests for integration 2014-04-07 20:01:30 +02:00
update_README.py Updated documentation 2014-05-14 00:01:31 +02:00