| .. |
|
.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
|
Introduce ezfio_interface.py and EZFIO.cfg in Full_CI
|
2015-03-24 19:52:01 +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
|
corrected DDCI
|
2015-03-20 10:58:24 +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
|
Changed Ocaml Installer
|
2015-03-24 17:08:41 +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
|
Install IRPF90 and EZFIO from LCPQ oprganization on GitHub
|
2015-01-19 16:11:36 +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
|
Upgrade irpf90
|
2015-03-25 11:42:15 +01:00 |
