Emmanuel Giner
1cf73ea3b6
merge with scemama
2019-01-16 15:21:51 +01:00
fd93373543
Working on doc
2019-01-16 11:47:09 +01:00
Emmanuel Giner
218ccae739
merge
2019-01-14 07:29:13 +01:00
cf2fa908e2
Merge branch 'toto' of github.com:eginer/quantum_package
2019-01-11 19:58:21 +01:00
Emmanuel Giner
3725952d59
fixed bugs
2019-01-11 19:42:53 +01:00
Emmanuel Giner
3f7cc67646
modifs in doc
2019-01-11 19:37:06 +01:00
815b7b2d18
Command_line.ml
2019-01-11 19:10:12 +01:00
eginer
b99d4ba797
modified the doc
2019-01-10 18:57:58 +01:00
eginer
eedab7f7df
merged
2019-01-10 17:54:09 +01:00
eginer
9f9f7d7870
changes
2019-01-10 17:52:54 +01:00
Emmanuel Giner
c53b3ebade
renaming massive on one e density
2019-01-09 19:16:58 +01:00
c48b0fa6f7
Merge branch 'toto' of git://github.com/eginer/quantum_package
2019-01-07 01:43:56 +01:00
f88bbbf11a
Documentation
2019-01-07 00:39:54 +01:00
61bc71a1c6
Shortened tests for Travis
2019-01-07 00:25:08 +01:00
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
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
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
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
d292f00154
gitignore files
2018-12-25 19:24:43 +01:00
ed74e3a519
Documentation
2018-12-25 19:11:56 +01:00
0ba3fdd7a2
Documentation
2018-12-25 18:59:11 +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
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
