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ezfio_interface
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add michel routine
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2015-04-03 13:34:27 +02:00 |
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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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build_modules.sh
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Fixed executables list in data
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2015-03-26 23:53:33 +01:00 |
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check_dependencies.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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clean_modules.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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create_executables_list.sh
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Improved Ocaml makefile
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2015-03-26 01:35:50 +01:00 |
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create_gitignore.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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create_Makefile_depend.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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create_Makefile.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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create_module.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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create_Needed_modules.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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create_rst_templates.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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docopt.py
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Add docopt for a beter ei_handler.py cli
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2015-04-02 10:28:44 +02:00 |
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ezfio_with_default.py
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Modif ezfio_default for reflection the new change in default. Add ezfio_generate_provider who is the new version of the program
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2015-03-26 20:04:05 +01:00 |
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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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Corrected CAS-SD bug
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2015-04-02 11:40:16 +02:00 |
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get_basis.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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install_curl.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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install_emsl.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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install_ezfio.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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install_irpf90.sh
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Improved setup
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2015-03-26 01:17:37 +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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Merge branch 'master' of github.com:scemama/quantum_package
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2015-03-26 01:02:12 +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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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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prepare_ezfio.sh
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Add directory for ezfio_interface, first apparition of ezfio_generate_ocaml
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2015-03-27 10:44:39 +01:00 |
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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_include.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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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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Add directory for ezfio_interface, first apparition of ezfio_generate_ocaml
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2015-03-27 10:44:39 +01:00 |
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run_Makefile_global.sh
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Fixed IRPF90 environment variable
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2015-03-27 09:45:37 +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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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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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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Lots of cleaning in scripts and Makefiles
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2015-03-26 00:33:45 +01:00 |
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upgrade_irpf90.sh
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Upgrade irpf90
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2015-03-25 11:42:15 +01:00 |
