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Commit Graph

2951 Commits

Author SHA1 Message Date
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
e44c040434 Fixed travis 2018-02-08 22:16:58 +01:00
5f6349e7ac Generalized Davdison for dressed methods 2018-02-08 17:48:47 +01:00
eeaad3a3b5 Merge branch 'master' of github.com:scemama/quantum_package 2018-02-05 14:47:31 +01:00
Yann Garniron
f8924a82f4 reduced write on checkpoints 2018-02-02 13:10:14 +01:00
Anthony Scemama
61e65babd3
Fix for #227 (#228)
* Fixes #223

* Upgrade to OCaml 4.06 and Core 0.10

* Fixes #223 (#226) (#61)

* Fixed qp_edit
2018-01-22 02:45:17 +01:00
cee0b40463 Fixed qp_edit 2018-01-22 01:46:46 +01:00
Anthony Scemama
d305f14c6e
Fixes #223 (#226) (#61) 2018-01-22 01:22:50 +01:00
35708de944 Upgrade to OCaml 4.06 and Core 0.10 2018-01-22 01:20:06 +01:00
Anthony Scemama
2d8b0089f3
Fixes #223 (#226) 2018-01-13 18:43:34 +01:00
02161df6d0 Fixes #223 2018-01-13 18:15:12 +01:00
Yann Garniron
045109056f bug with zmq_state 2018-01-13 01:55:54 +01:00
Thomas Applencourt
b903b9905b
Merge pull request #224 from scemama/master
Fixes  #223
2018-01-12 16:35:12 -06:00
d31cca38df Fixes #223 2018-01-12 21:42:37 +01:00
5d0dbb304a Memo 2018-01-11 10:08:11 +01:00
Thomas Applencourt
df3963d1f4
Merge pull request #222 from scemama/master
Bug fixes
2018-01-10 14:20:24 -06:00
2550047bb2 Fixed mrcc stoch 2018-01-10 19:30:02 +01:00