Anthony Scemama 942b9339c6 Added ezfio_defaults in data

2014-07-29 14:23:33 +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

Dangerous commit

2014-05-21 16:37:54 +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

Added qpackage run command

2014-06-27 01:26:46 +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

Selection and perturbation work. Introduced new tests.

2014-05-24 02:39:18 +02:00

create_tests_Makefile.sh

Ezfio_files tested

2014-04-07 17:36:19 +02:00

ezfio_with_default.py

Added ezfio_defaults in data

2014-07-29 14:23:33 +02:00

fetch_from_web.py

Removed wget requirement

2014-04-07 15:45:19 +02:00

follow_output.py

Added qpackage run command

2014-06-27 01:26:46 +02:00

generate_h_apply.py

Wall_0

2014-07-16 14:03:05 +02:00

perturbation.py

Accelerated Davidson

2014-05-17 14:20:55 +02:00

prepare_module.sh

Added scripts

2014-04-03 01:45:22 +02:00

qp_bitmasks.py

Added qpackage run command

2014-06-27 01:26:46 +02:00

qpackage

selectors_max fixed

2014-06-27 10:36:40 +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

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

Save wavefunction

2014-06-07 22:07:50 +02:00