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ezfio_interface
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Added module DensityFit
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2015-05-13 22:53:26 +02:00 |
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install
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Added install_ninja.sh
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2015-05-28 13:25:16 +02:00 |
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module
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Compiles with IRPF90/ninja
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2015-05-28 01:22:02 +02:00 |
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pseudo
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Added Davidson in MRCC
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2015-05-21 10:15:13 +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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cache_compile.py
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Added Davidson in MRCC
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2015-05-21 10:15:13 +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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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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Merge branch 'master' of github.com:scemama/quantum_package
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2015-05-04 19:24:25 +02:00 |
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get_basis.sh
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Changed pseudo_ao in EZFIO
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2015-05-26 21:37:17 +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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qp_utils.py
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Add qp_utils.py for cache decorator, remove pickl in ei_handler.py
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2015-05-05 11:05:27 +02:00 |
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run_Makefile_common.sh
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Add all.png to git
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2015-05-12 10:05:20 +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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Change image name, add image in README.rst, and add Graphviz in dependancy
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2015-05-12 10:39:49 +02:00 |
