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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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Cleaning scripts
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2014-09-02 16:22:00 +02:00 |
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check_dependencies.sh
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Cleaning scripts
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2014-09-02 16:22:00 +02:00 |
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create_gitignore.sh
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A lot of cleaning. Removed CIS_dressed.
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2015-01-15 14:00:00 +01:00 |
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create_Makefile_depend.sh
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Cleaning scripts
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2014-09-02 16:22:00 +02:00 |
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create_Makefile.sh
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Cleaning scripts
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2014-09-02 16:22:00 +02:00 |
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create_module.sh
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A lot of cleaning. Removed CIS_dressed.
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2015-01-15 14:00:00 +01:00 |
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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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ezfio_interface.py
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INPORTANT
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2015-03-25 15:27:35 +01:00 |
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ezfio_with_default.py
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Added ezfio_defaults in data
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2014-07-29 14:23:33 +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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Fixed bugs of DDCI
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2015-03-25 12:06:50 +01:00 |
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get_basis.sh
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Added Huckel guess and fixed compatibility with new EMSL
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2015-03-20 11:34:24 +01:00 |
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install_curl.sh
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Install IRPF90 and EZFIO from LCPQ oprganization on GitHub
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2015-01-19 16:11:36 +01:00 |
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install_emsl.sh
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Install IRPF90 and EZFIO from LCPQ oprganization on GitHub
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2015-01-19 16:11:36 +01:00 |
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install_ezfio.sh
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Removed input_cis.ml
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2015-01-19 16:41:21 +01:00 |
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install_irpf90.sh
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Bug in irpf90 installation
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2015-01-19 16:37:29 +01:00 |
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install_m4.sh
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Install IRPF90 and EZFIO from LCPQ oprganization on GitHub
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2015-01-19 16:11:36 +01:00 |
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install_ocaml.sh
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Remove opam_installer.sh after installing
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2015-03-25 16:28:37 +01:00 |
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install_resultsFile.sh
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Install IRPF90 and EZFIO from LCPQ oprganization on GitHub
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2015-01-19 16:11:36 +01:00 |
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install_zlib.sh
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Fix a.out (it was in install_zlib.sh)
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2015-03-25 17:03:28 +01:00 |
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make_binary.sh
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Removed useless SOFT_TOUCH
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2015-01-29 21:31:51 +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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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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qp_convert.py
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Install resultsFile
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2015-01-19 15:45:05 +01:00 |
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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_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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Added default for n_int in ocaml
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2014-09-17 11:49:00 +02:00 |
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upgrade_ezfio.sh
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Update scripts for irpf90 and ezfio
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2014-11-04 01:03:50 +01:00 |
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upgrade_irpf90.sh
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Update scripts for irpf90 and ezfio
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2014-11-04 01:03:50 +01:00 |
