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ezfio_interface
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Fix set_pseudo_integrals_do_pseudo = False in test
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2015-05-02 13:29:57 +02:00 |
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install
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Move install script into install folder
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2015-04-30 14:05:04 +02:00 |
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module
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Change create_module.sh into qp_create_module.sh and so on
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2015-05-04 16:03:38 +02:00 |
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pseudo
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Suport pseudo in qp_create
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2015-05-02 14:50:23 +02:00 |
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upgrade
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Move upgrade script into upgrade folder
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2015-04-30 14:20:08 +02:00 |
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.gitignore
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Remove check_dependencies.sh, is no handle by module_handler.py
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2015-05-04 15:53:42 +02:00 |
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ezfio_with_default.py
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Remove WILL be DELETED and change ezfio_with_default in concequance
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2015-04-20 09:11:12 +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 ocaml qp_run
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2014-10-10 00:26:49 +02:00 |
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generate_h_apply.py
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Add EZFIO.cfg in determinants
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2015-04-20 15:20:38 +02:00 |
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get_basis.sh
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Suport pseudo in qp_create
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2015-05-02 14:50:23 +02:00 |
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make_binary.sh
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Fixed static build with gfortran
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2015-03-26 02:16:12 +01:00 |
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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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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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qp_include.sh
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Rename only_children... into module_handler.py
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2015-05-04 15:03:53 +02:00 |
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qp_set_frozen_core.py
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Better estimated PT2
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2015-03-16 18:30:38 +01:00 |
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run_Makefile_common.sh
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Change create_module.sh into qp_create_module.sh and so on
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2015-05-04 16:03:38 +02:00 |
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run_Makefile_global.sh
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Move upgrade script into upgrade folder
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2015-04-30 14:20:08 +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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Lots of cleaning in scripts and Makefiles
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2015-03-26 00:33:45 +01:00 |
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update_README.py
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Add NEED_CHILDREN_MODULE to replace NEEDED_MODULES
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2015-04-30 18:56:04 +02:00 |
