Thomas Applencourt cd518019ab Amazing fancy ezfio_interface_config

2015-03-26 10:01:02 +01:00

..

.gitignore

Auto-update README.rst

2014-04-04 00:41:43 +02:00

archive_ezfio.sh

Cleaning scripts

2014-09-02 16:22:00 +02:00

check_dependencies.sh

Cleaning scripts

2014-09-02 16:22:00 +02:00

create_gitignore.sh

A lot of cleaning. Removed CIS_dressed.

2015-01-15 14:00:00 +01:00

create_Makefile_depend.sh

Cleaning scripts

2014-09-02 16:22:00 +02:00

create_Makefile.sh

Cleaning scripts

2014-09-02 16:22:00 +02:00

create_module.sh

A lot of cleaning. Removed CIS_dressed.

2015-01-15 14:00:00 +01:00

create_Needed_modules.sh

Simplified Makefiles

2014-04-03 13:59:51 +02:00

create_rst_templates.sh

Auto-update README.rst

2014-04-04 00:41:43 +02:00

ezfio_interface.py

Amazing fancy ezfio_interface_config

2015-03-26 10:01:02 +01:00

ezfio_with_default.py

Added ezfio_defaults in data

2014-07-29 14:23:33 +02:00

fetch_from_web.py

Removed wget requirement

2014-04-07 15:45:19 +02:00

follow_output.py

Added ocaml qp_run

2014-10-10 00:26:49 +02:00

generate_h_apply.py

Fixed bugs of DDCI

2015-03-25 12:06:50 +01:00

get_basis.sh

Added Huckel guess and fixed compatibility with new EMSL

2015-03-20 11:34:24 +01:00

install_curl.sh

Install IRPF90 and EZFIO from LCPQ oprganization on GitHub

2015-01-19 16:11:36 +01:00

install_emsl.sh

Install IRPF90 and EZFIO from LCPQ oprganization on GitHub

2015-01-19 16:11:36 +01:00

install_ezfio.sh

Removed input_cis.ml

2015-01-19 16:41:21 +01:00

install_irpf90.sh

Bug in irpf90 installation

2015-01-19 16:37:29 +01:00

install_m4.sh

Install IRPF90 and EZFIO from LCPQ oprganization on GitHub

2015-01-19 16:11:36 +01:00

install_ocaml.sh

Remove opam_installer.sh after installing

2015-03-25 16:28:37 +01:00

install_resultsFile.sh

Install IRPF90 and EZFIO from LCPQ oprganization on GitHub

2015-01-19 16:11:36 +01:00

install_zlib.sh

Fix a.out (it was in install_zlib.sh)

2015-03-25 17:03:28 +01:00

make_binary.sh

Removed useless SOFT_TOUCH

2015-01-29 21:31:51 +01:00

perturbation.py

Accelerated Davidson

2014-05-17 14:20:55 +02:00

prepare_module.sh

Added scripts

2014-04-03 01:45:22 +02:00

qp_bitmasks.py

Added qpackage run command

2014-06-27 01:26:46 +02:00

qp_convert.py

Install resultsFile

2015-01-19 15:45:05 +01:00

qp_set_frozen_core.py

Better estimated PT2

2015-03-16 18:30:38 +01:00

run_tests.py

Merge branch 'master' of github.com:LCPQ/quantum_package

2014-05-24 03:29:35 +02:00

save_current_mos.sh

Added scripts

2014-04-03 01:45:22 +02:00

unarchive_ezfio.sh

Tests for integration

2014-04-07 20:01:30 +02:00

update_README.py

Added default for n_int in ocaml

2014-09-17 11:49:00 +02:00

upgrade_ezfio.sh

Update scripts for irpf90 and ezfio

2014-11-04 01:03:50 +01:00

upgrade_irpf90.sh

Update scripts for irpf90 and ezfio

2014-11-04 01:03:50 +01:00