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mirror of https://github.com/LCPQ/quantum_package synced 2024-09-27 12:00:56 +02:00
Commit Graph

16 Commits

Author SHA1 Message Date
af55bf49a1 A lot of renaming 2019-01-05 01:11:55 +01:00
c297dbef83 qp_test can run only one test 2019-01-04 03:21:42 +01:00
36234f0822 TODO 2019-01-02 23:22:46 +01:00
a9191d23b2 Documentation 2019-01-02 23:04:13 +01:00
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
123de0381e Added modules 2018-12-28 19:50:28 +01:00
56fd098580 README 2018-12-28 19:12:53 +01:00
ed74e3a519 Documentation 2018-12-25 19:11:56 +01:00
0ba3fdd7a2 Documentation 2018-12-25 18:59:11 +01:00
Emmanuel Giner
d926b20eab some cleaning and more explicit README 2018-12-23 23:50:31 +01:00
67e71e5931 Removed dead code 2018-12-18 15:45:40 +01:00
d7f7b8ca52 Modified qp_export_as_tgz 2018-11-26 23:05:14 +01:00
b8d97dc5a5 Working on doc 2018-11-23 18:01:22 +01:00
1ac2423571 Working on doc 2018-11-23 17:00:51 +01:00
bb7aa8b789 Updated doc 2018-11-23 10:19:36 +01:00
Anthony Scemama
8f89e3d239
Nocurl (#75)
* Documentation

* Improved qp_set_frozen_core

* Changed all ishft

* New install script OK

* Variable level shift in HF
2018-11-20 11:33:07 +01:00