LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-09-27 03:51:01 +02:00
Code Issues Releases Wiki Activity
b3f3a280fe
quantum_package/scripts
History
Anthony Scemama c7894e3419
Toto (#84) 
* minor changes in README.rst of many src files

* added ROHF_b2.gms.out

* modified some scripts

* modified README.rst

* modifs in docs/intro

* added qp_e_conv_fci

* changed the doc

* added some README.rst

* modifs in docs

* introduced the sgn grids

* added 21.rsks.bats
2019-01-02 21:48:54 +01:00
..
compilation modified some scripts 2018-12-28 15:08:07 +01:00
ezfio_interface Check memory 2018-12-13 16:54:28 +01:00
module modified some scripts 2018-12-28 15:08:07 +01:00
utility Added many test files 2018-12-28 16:09:36 +01:00
.gitignore Nocurl (#75) 2018-11-20 11:33:07 +01:00
generate_h_apply.py Removed uppercases in filenames 2018-12-18 16:52:15 +01:00
get_basis.sh Nocurl (#75) 2018-11-20 11:33:07 +01:00
perturbation.py Removed uppercases in filenames 2018-12-18 16:52:15 +01:00
qp_bitmasks.py python2 2018-04-30 18:43:32 +02:00
qp_e_conv_fci Toto (#84) 2019-01-02 21:48:54 +01:00
qp_export_as_tgz Cleaning scripts 2018-12-21 18:00:47 +01:00
qp_mpirun Cleaning scripts 2018-12-21 18:00:47 +01:00
qp_plugins Added many test files 2018-12-28 16:09:36 +01:00
qp_set_frozen_core Nocurl (#75) 2018-11-20 11:33:07 +01:00
qp_srun Cleaning scripts 2018-12-21 18:00:47 +01:00
qp_test Updated tests 2018-12-25 10:55:40 +01:00
save_current_mos.sh python2 2018-04-30 18:43:32 +02:00