|
f88bbbf11a
|
Documentation
|
2019-01-07 00:39:54 +01:00 |
|
|
af55bf49a1
|
A lot of renaming
|
2019-01-05 01:11:55 +01:00 |
|
|
d292f00154
|
gitignore files
|
2018-12-25 19:24:43 +01:00 |
|
|
7688feef8f
|
Merge branch 'toto' of git://github.com/eginer/quantum_package into eginer-toto
|
2018-12-25 10:36:41 +01:00 |
|
Emmanuel Giner
|
9dc1408907
|
minor modifs in README.rst
|
2018-12-22 14:44:19 +01:00 |
|
|
316695726b
|
Merge branch 'master' of github.com:scemama/quantum_package
|
2018-12-21 18:17:48 +01:00 |
|
Emmanuel Giner
|
d186d59d40
|
poule au pot (#80)
* added becke_numerical_grid/example.irp.f
* added exemples for determinants and bitmask
* added density_for_dft, dft_keywords and data_energy_and_density
* added dft_utils_one_body
* added dft_utils_two_body and it compilates
* added script_CIPSI_RSH.sh
* rm slave_cipsi
* rm slave_cipsi
* added dft_utils_two_body which works
* added scf_utils
* added slater_rules_mono_bielec.irp.f
* remove integrals_bielec_erf
* hatree_fock is ok with scf_utils
* added kohn_sham_range_separated
* added kohn_sham
* cleaning lengthy variables
* split the erf integrals
* added README.rst in hf and ks
|
2018-12-21 18:16:18 +01:00 |
|
|
7409eefcc6
|
Fixed gitignore
|
2018-12-21 17:39:45 +01:00 |
|
Emmanuel Giner
|
1f4b5e8746
|
split the erf integrals
|
2018-12-21 16:14:28 +01:00 |
|
|
69f98a8160
|
qp_plugins improved
|
2018-12-21 12:47:50 +01:00 |
|
|
36f69cdb43
|
Renamed integrals
|
2018-12-20 16:52:57 +01:00 |
|
|
3b8f0c3338
|
Added @eginer's becke_numerical_grid
|
2018-12-18 18:14:17 +01:00 |
|
|
ba839928db
|
Renaming in lowercase
|
2018-12-18 16:11:25 +01:00 |
|
|
8f294a6b80
|
More verbose ZMQ errors
|
2018-11-28 11:03:10 +01:00 |
|
|
2929828ae3
|
Working on doc
|
2018-11-26 13:45:32 +01:00 |
|