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

18 Commits

Author SHA1 Message Date
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
Emmanuel Giner
c53b3ebade renaming massive on one e density 2019-01-09 19:16:58 +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
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
d292f00154 gitignore files 2018-12-25 19:24:43 +01:00