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