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mirror of https://github.com/LCPQ/quantum_package synced 2024-06-30 00:44:28 +02:00
Commit Graph

17 Commits

Author SHA1 Message Date
Thomas Applencourt
1a634b4ed2 Change image name, add image in README.rst, and add Graphviz in dependancy 2015-05-12 10:39:49 +02:00
3b30e4fa4a Fixed PATH error 2015-05-04 19:44:09 +02:00
Thomas Applencourt
1a9ced8f25 Merge with ao_normalized_ordered_.... 2015-05-04 19:05:28 +02:00
Thomas Applencourt
acb6b7b16a Add NEED_CHILDREN_MODULE to replace NEEDED_MODULES 2015-04-30 18:56:04 +02:00
14d59648af Changed ao_coef to ao_coef_normalized_ordered 2015-04-25 01:10:02 +02:00
Thomas Applencourt
5947026af0 Fix update_README.py 2015-04-13 10:55:48 +02:00
ff86d51c5f Hartree-Fock works well 2014-06-25 14:58:58 +02:00
3beea8d230 Added mo_occ and mo_density_matrix providers 2014-06-12 16:37:22 +02:00
13ee3531ee Acceleration of filter_connected and Davidson 2014-05-16 09:42:28 +02:00
3e7c65d858 Updated documentation 2014-05-14 00:01:31 +02:00
b02cfe8dc3 CISD OK 2014-05-13 13:57:58 +02:00
bc5340a751 Added tests for Nuclei 2014-04-10 22:41:04 +02:00
65cef0f6e6 Documented MOs 2014-04-10 22:27:05 +02:00
f0cba523df Auto insert HTTP links to other modules in the README.rst file. 2014-04-04 00:47:13 +02:00
166df2ba8d Auto-update README.rst 2014-04-04 00:41:43 +02:00
01aae7bf4d Added README.rst in all directories 2014-04-03 16:23:27 +02:00
f9f3fac7ff Make all_modules and all_clean compiles in parallel. Added NEEDED_MODULES 2014-04-03 11:19:41 +02:00