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mirror of https://github.com/LCPQ/quantum_package synced 2024-11-07 22:53:57 +01:00
Commit Graph

22 Commits

Author SHA1 Message Date
e50e967018 Added Davidson in MRCC 2015-05-21 10:15:13 +02:00
7c0fd00c1f Added module DensityFit 2015-05-13 22:53:26 +02:00
Thomas Applencourt
4ce217a354 n_det_max in in dets, and PT2_max and var_pt2_max are in Perturbation. Delete all the multiple occurance 2015-05-12 15:14:54 +02:00
Thomas Applencourt
1157baa8e3 Fix a dependancy when disosiate bielec_integral and mono_elec 2015-05-12 11:55:52 +02:00
Thomas Applencourt
6d8004e723 Change Bielec_integrals => Integrals_Bielec 2015-05-12 11:30:05 +02:00
Thomas Applencourt
f628bdee18 Rename MonoInts into Integrals_Monoelec 2015-05-12 11:05:07 +02:00
Thomas Applencourt
1a634b4ed2 Change image name, add image in README.rst, and add Graphviz in dependancy 2015-05-12 10:39:49 +02:00
Thomas Applencourt
5777753d6b Add all.png to git 2015-05-12 10:05:20 +02:00
e438d8582b Removed Output module 2015-05-11 19:41:56 +02:00
0a1ba724aa Fixed bugs 2015-05-06 18:26:36 +02:00
d6ec67e840 Fixed Full CAS-SD 2015-05-06 17:01:45 +02:00
Thomas Applencourt
acb6b7b16a Add NEED_CHILDREN_MODULE to replace NEEDED_MODULES 2015-04-30 18:56:04 +02:00
Thomas Applencourt
3b59fca0c7 Add EZFIO.cfg in determinants 2015-04-20 15:20:38 +02:00
Thomas Applencourt
5947026af0 Fix update_README.py 2015-04-13 10:55:48 +02:00
Thomas Applencourt
92ce14a9b0 true -> True for the convention 2015-04-13 09:51:36 +02:00
Thomas Applencourt
0e9f78d51d Merge #2 2015-04-10 18:13:06 +02:00
Thomas Applencourt
1abca0aa68 Trying to merge 2015-04-10 18:05:47 +02:00
47d913a9ce Fixed CAS-SD 2015-04-10 17:26:07 +02:00
17126c779e Forgt EZFIO.cfg file 2015-04-10 00:45:09 +02:00
99e63935d4 MRCC works 2015-04-09 21:46:37 +02:00
102bbb0b4f Lots of minor fixes 2015-04-09 21:46:28 +02:00
dd1a51af63 CAS-SD and CAS-SD selected 2015-04-09 10:57:15 +02:00