beddd31c60
Rename one_e and two_e
2019-01-05 02:58:15 +01:00
a85f1212f3
A lot of renaming
2019-01-05 01:58:19 +01:00
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
9541e7ac4a
Documentation
2019-01-04 02:10:02 +01:00
e46ea31b96
Tests OK for CISD
2019-01-04 00:03:58 +01:00
b3f3a280fe
S^2 penalty and cisd tests
2019-01-03 23:38:02 +01:00
Anthony Scemama
d1c324d8f3
Toto ( #85 )
...
* 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
* added EZFIO.cfg
2019-01-03 14:52:58 +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
54b151e947
Removed all modules of doc
2018-12-28 19:45:21 +01:00
162f96c28b
Merge
2018-12-28 19:44:10 +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
540c02c4aa
README + configure
2018-12-28 19:19:14 +01:00
56fd098580
README
2018-12-28 19:12:53 +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
7688feef8f
Merge branch 'toto' of git://github.com/eginer/quantum_package into eginer-toto
2018-12-25 10:36:41 +01:00
3b2a2f66ca
plugins file in docs
2018-12-25 10:32:28 +01:00
Emmanuel Giner
d926b20eab
some cleaning and more explicit README
2018-12-23 23:50:31 +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
67e71e5931
Removed dead code
2018-12-18 15:45:40 +01:00
dea9dc9c36
Doc
2018-12-18 09:57:58 +01:00
a9edb4907e
Merge branch 'master' of github.com:scemama/quantum_package
2018-12-13 10:26:08 +01:00
04f1389cb1
Logo
2018-12-05 09:34:55 +01:00
586a4e550f
Bibliography
2018-12-05 09:24:45 +01:00
01ae19deec
Version 2.0
2018-12-05 09:15:32 +01:00
d7f7b8ca52
Modified qp_export_as_tgz
2018-11-26 23:05:14 +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
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
72a0f6a262
Updated documentation
2018-11-07 10:04:36 +01:00
9b1fa6a2fe
User's guide
2018-10-23 23:43:28 +02:00
bc01ff40d7
User's guide
2018-10-23 23:37:51 +02:00
f9d4a0e647
Added requirements for RTD
2018-10-23 01:33:26 +02:00
47d625df3b
Doc: Started Programming
2018-10-23 01:19:44 +02:00
1c6991b323
Doc: Benchmarks
2018-10-23 01:13:32 +02:00
d40f7d1568
Forgot file
2018-10-22 23:35:05 +02:00
