Anthony Scemama
81bc60eb58
Merge develop-toto and manus ( #12 )
...
* Fixed energies of non-expected s2
* Moved diag_algorithm in Davdison
* Fixed travis
* Added print_ci_vector
* Documentation
* Cleaned qp_set_mo_class.ml
* Removed Core in taskserver
* Frozen core for heavy atoms
* Improved molden module
* In sync with manus
* Fixed some of the documentation errors
2019-03-06 14:12:55 +01:00
Anthony Scemama
cc21e47348
Update quickstart.rst
2019-02-21 10:37:04 +01:00
Anthony Scemama
2435af3e45
Update quickstart.rst
2019-02-21 10:36:06 +01:00
Anthony Scemama
ec94d7f4ef
Update links.rst
2019-02-21 10:18:26 +01:00
Anthony Scemama
2783eabec3
Merge branch 'develop' into develop-manus
2019-02-21 09:33:21 +01:00
eginer
f1fe33a8fb
improved qp_e_conv_fci
2019-02-06 18:22:08 +01:00
1097b4489b
Thesis Yann
2019-02-06 17:41:34 +01:00
eginer
6ffdccb26d
added source/programmers_guide/new_ks.rst
2019-02-04 19:43:39 +01:00
eginer
44b9318bae
added README.rst in new_functionals
2019-02-04 16:13:42 +01:00
eginer
981b563177
added dft_one_e/README.rst
2019-02-04 13:14:05 +01:00
eginer
1ae6af7ce3
changed the configure
2019-01-30 18:28:52 +01:00
7521d3da46
Folder -> directory
2019-01-29 23:10:00 +01:00
8e6603c85a
Forgot files
2019-01-29 18:28:15 +01:00
f4bff28cd1
Warnings in documentation
2019-01-29 17:09:08 +01:00
f830999041
Included documentation
2019-01-25 14:54:38 +01:00
24d9745056
Initial commit
2019-01-25 11:39:31 +01:00