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ezfio_interface
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Add capitzalise to EZFIO_convert_output for consitenciy
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2015-04-28 14:03:44 +02:00 |
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pseudo
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Add a return condition for kmax=1, lmax=1 and v_kl=0.d0 in vpseudo
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2015-04-28 18:12:16 +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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Fixing .gitignore
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2015-04-13 13:19:54 +02:00 |
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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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Add EZFIO.cfg in determinants
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2015-04-20 15:20:38 +02:00 |
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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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Fixing .gitignore
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2015-04-13 13:19:54 +02:00 |
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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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Cleaning
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2015-04-10 19:32:35 +02:00 |
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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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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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Working !
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2015-04-21 17:43:03 +02:00 |
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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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Get IRP from LCPQ
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2015-04-13 13:21:58 +02:00 |
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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_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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Fix update_README.py
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2015-04-13 10:55:48 +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 |
