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mirror of https://github.com/LCPQ/quantum_package synced 2024-10-19 22:41:48 +02:00
Commit Graph

13 Commits

Author SHA1 Message Date
Emmanuel Giner
5cf9f81f4b more detailed documentation on the doc of the programs 2019-01-11 16:20:45 +01:00
Emmanuel Giner
c53b3ebade renaming massive on one e density 2019-01-09 19:16:58 +01:00
Emmanuel Giner
e327757118 fixed rs_ks_scf density 2019-01-09 18:38:44 +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
af55bf49a1 A lot of renaming 2019-01-05 01:11:55 +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
56fd098580 README 2018-12-28 19:12:53 +01:00
d292f00154 gitignore files 2018-12-25 19:24:43 +01:00
Emmanuel Giner
9dc1408907 minor modifs in README.rst 2018-12-22 14:44:19 +01:00
Emmanuel Giner
1b3d4f3514 added README.rst in hf and ks 2018-12-21 16:47:03 +01:00
Emmanuel Giner
d6bb9dbe96 cleaning lengthy variables 2018-12-21 14:15:55 +01:00
Emmanuel Giner
045ebc9441 added kohn_sham 2018-12-20 18:43:29 +01:00