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.gitignore
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Auto-update README.rst
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2014-04-04 00:41:43 +02:00 |
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archive_ezfio.sh
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Renamed test inputs
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2014-04-07 15:18:11 +02:00 |
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check_dependencies.sh
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Dangerous commit
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2014-05-21 16:37:54 +02:00 |
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create_Makefile_depend.sh
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Make all_modules and all_clean compiles in parallel. Added NEEDED_MODULES
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2014-04-03 11:19:41 +02:00 |
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create_Makefile.sh
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Added checked inputs for tests.
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2014-04-07 00:39:18 +02:00 |
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create_module.sh
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Added qpackage run command
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2014-06-27 01:26:46 +02:00 |
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create_Needed_modules.sh
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Simplified Makefiles
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2014-04-03 13:59:51 +02:00 |
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create_rst_templates.sh
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Auto-update README.rst
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2014-04-04 00:41:43 +02:00 |
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create_test_ref.sh
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Selection and perturbation work. Introduced new tests.
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2014-05-24 02:39:18 +02:00 |
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create_tests_Makefile.sh
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Ezfio_files tested
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2014-04-07 17:36:19 +02:00 |
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fetch_from_web.py
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Removed wget requirement
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2014-04-07 15:45:19 +02:00 |
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follow_output.py
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Added qpackage run command
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2014-06-27 01:26:46 +02:00 |
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generate_h_apply.py
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Hartree-Fock works well
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2014-06-25 14:58:58 +02:00 |
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perturbation.py
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Accelerated Davidson
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2014-05-17 14:20:55 +02:00 |
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prepare_module.sh
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Added scripts
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2014-04-03 01:45:22 +02:00 |
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qp_bitmasks.py
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Added qpackage run command
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2014-06-27 01:26:46 +02:00 |
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qpackage
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Added qpackage run command
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2014-06-27 01:27:09 +02:00 |
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run_tests.py
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Merge branch 'master' of github.com:LCPQ/quantum_package
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2014-05-24 03:29:35 +02:00 |
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save_current_mos.sh
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Added scripts
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2014-04-03 01:45:22 +02:00 |
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unarchive_ezfio.sh
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Tests for integration
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2014-04-07 20:01:30 +02:00 |
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update_README.py
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Save wavefunction
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2014-06-07 22:07:50 +02:00 |
