Thomas Applencourt ac7490635a Add EZFIO.cfg to ezfio_generate_ocaml

2015-03-30 17:36:39 +02:00

..

ezfio_interface

Add EZFIO.cfg to ezfio_generate_ocaml

2015-03-30 17:36:39 +02:00

.gitignore

Auto-update README.rst

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

build_modules.sh

Fixed executables list in data

2015-03-26 23:53:33 +01:00

check_dependencies.sh

Lots of cleaning in scripts and Makefiles

2015-03-26 00:33:45 +01:00

clean_modules.sh

Lots of cleaning in scripts and Makefiles

2015-03-26 00:33:45 +01:00

create_executables_list.sh

Improved Ocaml makefile

2015-03-26 01:35:50 +01:00

create_gitignore.sh

Lots of cleaning in scripts and Makefiles

2015-03-26 00:33:45 +01:00

create_Makefile_depend.sh

Lots of cleaning in scripts and Makefiles

2015-03-26 00:33:45 +01:00

create_Makefile.sh

Lots of cleaning in scripts and Makefiles

2015-03-26 00:33:45 +01:00

create_module.sh

Lots of cleaning in scripts and Makefiles

2015-03-26 00:33:45 +01:00

create_Needed_modules.sh

Lots of cleaning in scripts and Makefiles

2015-03-26 00:33:45 +01:00

create_rst_templates.sh

Lots of cleaning in scripts and Makefiles

2015-03-26 00:33:45 +01:00

ezfio_with_default.py

Modif ezfio_default for reflection the new change in default. Add ezfio_generate_provider who is the new version of the program

2015-03-26 20:04:05 +01:00

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

add the possibility to avoid the skip in the generators with the select_max criterion and add a full_ci_no_skip.irp.f that uses it

2015-03-25 22:41:49 +01:00

get_basis.sh

Lots of cleaning in scripts and Makefiles

2015-03-26 00:33:45 +01:00

install_curl.sh

Lots of cleaning in scripts and Makefiles

2015-03-26 00:33:45 +01:00

install_emsl.sh

Lots of cleaning in scripts and Makefiles

2015-03-26 00:33:45 +01:00

install_ezfio.sh

Lots of cleaning in scripts and Makefiles

2015-03-26 00:33:45 +01:00

install_irpf90.sh

Improved setup

2015-03-26 01:17:37 +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

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

2015-03-26 01:02:12 +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

Fixed static build with gfortran

2015-03-26 02:16:12 +01:00

perturbation.py

Accelerated Davidson

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

prepare_ezfio.sh

Add directory for ezfio_interface, first apparition of ezfio_generate_ocaml

2015-03-27 10:44:39 +01:00

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_include.sh

Lots of cleaning in scripts and Makefiles

2015-03-26 00:33:45 +01:00

qp_set_frozen_core.py

Better estimated PT2

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

run_Makefile_common.sh

Add directory for ezfio_interface, first apparition of ezfio_generate_ocaml

2015-03-27 10:44:39 +01:00

run_Makefile_global.sh

Fixed IRPF90 environment variable

2015-03-27 09:45:37 +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

Lots of cleaning in scripts and Makefiles

2015-03-26 00:33:45 +01:00

update_README.py

Added default for n_int in ocaml

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

upgrade_ezfio.sh

Lots of cleaning in scripts and Makefiles

2015-03-26 00:33:45 +01:00

upgrade_irpf90.sh

Upgrade irpf90

2015-03-25 11:42:15 +01:00