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mirror of https://github.com/LCPQ/quantum_package synced 2024-11-14 01:53:55 +01:00
Commit Graph

28 Commits

Author SHA1 Message Date
fe54cb2675 Introduced PT2 energy denomitator provider 2016-11-11 23:07:58 +01:00
a3e2292b8e Merge with Dr. Giner 2016-11-02 21:46:12 +01:00
Emmanuel Giner
d13853691a conflicts minimized for merge 2016-11-02 17:39:39 +01:00
7906976c5a Fixed IRP bug 2016-10-11 23:00:31 +02:00
f3a46c55c1 Fixed selection bug 2016-10-11 22:44:51 +02:00
Emmanuel Giner
82a29d5603 no vvv integrals is ok 2016-10-11 19:03:23 +02:00
2b5c93a58a Fixed tests 2016-10-07 19:45:25 +02:00
2a0a5f8b6f Fixed assert:BANDON 2016-10-02 23:12:17 +02:00
80805e7abc N_det_generators <= N_det_selectors 2016-09-27 09:28:34 +02:00
8a87b924f9 Merge branch 'LCPQ-master'
Conflicts:
	src/Integrals_Monoelec/pot_mo_ints.irp.f
2016-09-22 12:19:43 +02:00
dd60cda0ee --amend 2016-09-22 12:15:20 +02:00
Emmanuel Giner
0075d01bd9 New perturbation theory is working 2016-08-26 18:00:49 +02:00
eb15a392be No more davidson on clients 2016-08-01 23:08:22 +02:00
Yann Garniron
8da0509c5e Massively parallel selection 2016-08-01 16:05:40 +02:00
42a5b96b0d Added Energy to qp_run 2016-07-28 18:53:24 +02:00
9cb9139537 Remove dead code 2016-02-19 15:07:38 +01:00
20a857c446 Distributed PT2 2016-02-19 00:20:28 +01:00
5470e05913 Added target_pt2_qmc 2015-10-19 17:28:08 +02:00
dc3cfb9dbd English 2015-10-06 15:33:11 +02:00
Thomas Applencourt
006c28f4ee Fix error in doc path 2015-07-28 17:31:54 +02:00
Thomas Applencourt
1c35435ea6 Fixing doc in double 2015-07-28 17:18:45 +02:00
Thomas Applencourt
97c0dcf40b Fix qp_install_module 2015-07-28 17:02:00 +02:00
Thomas Applencourt
b97e337f4b Refortorisation of update_readme 2015-07-28 16:45:45 +02:00
05124ab5d4 Cleaned MRCC in MRCC_Utils 2015-07-13 18:00:38 +02:00
Manu
12e81de1c7 MRCC converges with tiny matrixes 2015-07-03 19:19:44 +02:00
Thomas Applencourt
39aca82195 Modify gitignore 2015-06-25 16:52:08 +02:00
Thomas Applencourt
4205e42820 Fix maj tree 2015-06-24 10:51:49 +02:00
Thomas Applencourt
6a91e63cf3 Move into plugins 2015-06-17 18:23:56 +02:00