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Commit Graph

11 Commits

Author SHA1 Message Date
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
2929828ae3 Working on doc 2018-11-26 13:45:32 +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