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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-25 13:53:43 +01:00
Commit Graph

16 Commits

Author SHA1 Message Date
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