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mirror of https://github.com/LCPQ/quantum_package synced 2024-12-25 05:43:47 +01:00
Commit Graph

2767 Commits

Author SHA1 Message Date
Yann Garniron
c786e9fe58 shifted_bk_slave 2018-03-21 12:06:26 +01:00
Yann Garniron
8b7cb82cf8 bias when pt2_stoch does full computation 2018-03-20 13:37:05 +01:00
Yann Garniron
a3d7954faf removed dress_zmq dependency to MRCC_Utils 2018-03-20 12:08:09 +01:00
Yann Garniron
9ca7b74362 removed set_generators_bitmasks_as_holes_and_particles from dress_zmq 2018-03-20 11:54:37 +01:00
Yann Garniron
ade11beb25 corrected bitmask in Full_CI_ZMQ - seemingly working shiftedbk 2018-03-15 17:47:32 +01:00
Anthony Scemama
b29fb01e6f
Trying to fix jbuilder bug in OCaml installation (#65) 2018-03-11 19:30:24 +01:00
5dabd614f8 Bk 2018-03-07 19:01:19 +01:00
b509cb183b Merge branch 'garniron-alpha_factory' 2018-03-05 17:26:57 +01:00
9fd2a7ef39 Merge branch 'alpha_factory' of https://github.com/garniron/quantum_package into garniron-alpha_factory
Conflicts:
	plugins/dress_zmq/alpha_factory.irp.f
	plugins/dress_zmq/dress_stoch_routines.irp.f
	plugins/mrcepa0/mrcc_stoch_routines.irp.f
2018-03-05 17:26:43 +01:00
8f6e7f4a40 Added Bk module 2018-03-05 17:04:26 +01:00
Yann Garniron
bc626377f3 shiftedbk not working - may be removed later 2018-03-05 12:43:31 +01:00
Yann Garniron
1a0f36dfa5 init shiftedbk 2018-03-02 15:29:58 +01:00
Yann Garniron
22b2870b9f corrected assert(N_states>1) 2018-03-01 11:35:00 +01:00
c9416a5a68 Comment to clarify Selectors_CASSD 2018-02-28 16:12:46 +01:00
005137061e @eginer 's generators_CAS 2018-02-28 15:28:34 +01:00
ebf96776dd Fixed Travis 2018-02-27 19:13:31 +01:00
02ff02256d Merge branch 'alpha_factory' of github.com:garniron/quantum_package 2018-02-26 19:06:11 +01:00
Yann Garniron
2dc927f80a wrong ezfio variables were set 2018-02-26 14:18:49 +01:00
Yann Garniron
bd767bbb36 i_h_j_s2 - optimization in mrcc_sto 2018-02-26 11:33:32 +01:00
Yann Garniron
4ddeb5c2e5 minilist indices in psi_det 2018-02-23 14:02:51 +01:00
Yann Garniron
bd1aefc567 det_minilist 2018-02-22 15:29:20 +01:00
Yann Garniron
381c985999 mrcc_sto bug for multistate 2018-02-22 14:05:45 +01:00
Yann Garniron
b177ee3f51 missing files + small optimisation 2018-02-22 13:41:11 +01:00
1d2cdbf53d Merge branch 'master' of github.com:LCPQ/quantum_package 2018-02-21 16:47:05 +01:00
8524f43715 Fixed dependencies in modules 2018-02-21 16:45:51 +01:00
Yann Garniron
ea99cc29b3 working and less slow mrcc_sto 2018-02-20 17:34:51 +01:00
Yann Garniron
5150497318 working but super slow mrcc_sto 2018-02-20 15:51:53 +01:00
Yann Garniron
55a3af4190 Merge branch 'master' of https://github.com/scemama/quantum_package into alpha_factory 2018-02-19 17:16:31 +01:00
Yann Garniron
10ffd8f789 non-working mrcc_sto 2018-02-19 17:15:59 +01:00
187d7dc66f Moved DavidsonDressed in plugins 2018-02-19 15:14:17 +01:00
Thomas Applencourt
60a55b1215 Add a symlink lib64->lib (#231) 2018-02-16 21:57:20 +01:00
218f39770c Cleaning 2018-02-16 17:29:24 +01:00
Yann Garniron
95a1cddf43 commented out computation of excitations 2018-02-16 11:50:49 +01:00
Yann Garniron
5bd59241fa removed duplicate determinants - questionable efficiency 2018-02-15 14:07:20 +01:00
Yann Garniron
a828a1c5c8 PQ leaves in alpha_factory - with duplicate determinants 2018-02-15 13:42:55 +01:00
ab0eb1256b Fixed state_average_weight.gz different from array 2018-02-15 12:00:45 +01:00
Yann Garniron
9e317da0cb init alpha_factory - mrcc_sto working countdown 2018-02-14 15:21:08 +01:00
Yann Garniron
eacc63624c minilisted dress_zmq - mrcc_sto as unittest 2018-02-14 10:33:11 +01:00
Yann Garniron
66f7019ad1 merge with anthony master 2018-02-12 14:12:25 +01:00
Yann Garniron
7cd8ea50f5 Merge branch 'master' of https://github.com/scemama/quantum_package 2018-02-12 14:00:56 +01:00
ee53802402 Moved DavdisonDressed in plugins 2018-02-09 19:32:04 +01:00
0f75e345c0 Forgot files 2018-02-09 18:23:05 +01:00
d8b94c0473 Fixed travis 2018-02-09 17:59:50 +01:00
572639e632 Renaming of modules 2018-02-09 17:19:23 +01:00
ff4938bfde FIxed AllSingles 2018-02-09 16:09:04 +01:00
ea78d114d9 Fixed double declaration of dressing vector 2018-02-09 16:06:57 +01:00
d1a1c359f4 Missing file 2018-02-09 15:55:21 +01:00
Yann Garniron
ff1ef59d32 merged with scemama 2018-02-09 09:58:19 +01:00
08c2a46f44 Fix travis 2018-02-08 23:05:17 +01:00
8e689236be Forgot files 2018-02-08 22:22:21 +01:00