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mirror of https://github.com/LCPQ/quantum_package synced 2024-06-19 19:52:15 +02:00
Commit Graph

19 Commits

Author SHA1 Message Date
Thomas Applencourt
2090015c61 Merge pull request #10 from TApplencourt/master
Merge with master
2015-04-21 18:00:32 +02:00
Thomas Applencourt
3b59fca0c7 Add EZFIO.cfg in determinants 2015-04-20 15:20:38 +02:00
Thomas Applencourt
e5c2d5ee65 add michel routine 2015-04-03 13:34:27 +02:00
Thomas Applencourt
11c0013992 Autobuild qp_edit.ml 2015-04-02 14:46:24 +02:00
Thomas Applencourt
2c0480fcd8 Ocaml generator need l_ezfio_name and not l_provider 2015-03-31 11:14:45 +02:00
Thomas Applencourt
951a4e35e0 CISD (SC)^2 into CISD (SC)^2 SELECTED cause is the name of the module 2015-03-31 09:33:16 +02:00
Thomas Applencourt
e9665c276c Add cisd_sc2_selected to qp_edit 2015-03-30 17:56:17 +02:00
42dacb1405 Removed input_cis.ml 2015-01-19 16:41:21 +01:00
8531d9c9a1 Added Input_nuclei.ml 2014-10-24 00:42:07 +02:00
708698018d Added Input_mo_basis.ml 2014-10-24 00:25:15 +02:00
abb8967d63 Added Input_hartree_fock.ml 2014-10-22 00:12:23 +02:00
ede29e4284 Added Input_full_ci.ml 2014-10-21 23:32:47 +02:00
64022d88d7 Added Input_electrons.ml 2014-10-21 23:23:37 +02:00
c1cbf80080 Input_cisd_sc2.ml 2014-10-21 22:18:57 +02:00
7f76f8e2c6 Added Input_determinants.ml 2014-10-20 12:19:12 +02:00
b07365c52f Added Input_cis.ml 2014-10-18 23:18:54 +02:00
161e54ad15 Working on ocaml input 2014-10-18 00:10:25 +02:00
844553e9e2 Added bielec_integrals input in ocaml 2014-10-17 22:25:45 +02:00
fea8dfd891 Updated save_for_qmcchem (mo_classif) 2014-10-17 15:07:07 +02:00