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
Emmanuel Giner
062020ffdc
Toto ( #83 )
...
* minor changes in README.rst of many src files
* added ROHF_b2.gms.out
* modified some scripts
* modified README.rst
* modifs in docs/intro
2018-12-28 19:41:11 +01:00
aa48b24f0d
Moved qp_plugins
2018-12-28 15:06:27 +01:00
d292f00154
gitignore files
2018-12-25 19:24:43 +01:00
ea6afea0a9
Merge branch 'master' of github.com:scemama/quantum_package
2018-12-25 19:12:18 +01:00
ed74e3a519
Documentation
2018-12-25 19:11:56 +01:00
8e4c531015
Plugins
2018-12-25 19:09:41 +01:00
0ba3fdd7a2
Documentation
2018-12-25 18:59:11 +01:00
3b2a2f66ca
plugins file in docs
2018-12-25 10:32:28 +01:00
3e78803d61
Added qp_plugins list -q
2018-12-21 15:19:28 +01:00
d7856dcaa7
Added repository to qp_plugins create
2018-12-21 15:13:33 +01:00
a4f11b12fe
Updated documentation
2018-12-21 00:13:41 +01:00
4b21b8cd0e
Fixed tests
2018-12-18 17:30:16 +01:00
2929828ae3
Working on doc
2018-11-26 13:45:32 +01:00
e03930e8b6
auto_generate providers in doc
2018-11-25 14:59:02 +01:00
1ac2423571
Working on doc
2018-11-23 17:00:51 +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