|
|
8f6e7f4a40
|
Added Bk module
|
2018-03-05 17:04:26 +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 |
|
|
|
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 |
|
|
|
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 |
|
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 |
|
|
|
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 |
|
|
|
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 |
|
|
|
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 |
|
|
|
d31cca38df
|
Fixes #223
|
2018-01-12 21:42:37 +01:00 |
|
|
|
5d0dbb304a
|
Memo
|
2018-01-11 10:08:11 +01:00 |
|
|
|
2550047bb2
|
Fixed mrcc stoch
|
2018-01-10 19:30:02 +01:00 |
|
|
|
30235b45a1
|
Merge branch 'master' of github.com:scemama/quantum_package
|
2018-01-10 19:11:08 +01:00 |
|
|
|
9103c6cf52
|
Fixed multi-state
|
2018-01-10 18:55:08 +01:00 |
|
|
|
09ec85f5e9
|
SCF
|
2018-01-10 16:54:12 +01:00 |
|
|
|
a1415feab7
|
Bug H_Core guess
|
2018-01-09 17:34:15 +01:00 |
|
Yann Garniron
|
80005aa36e
|
fixed file conflict
|
2018-01-09 13:39:06 +01:00 |
|
Yann Garniron
|
5166768d96
|
merged stash
|
2018-01-09 13:29:34 +01:00 |
|
Yann Garniron
|
82d37fa2b2
|
Merge branch 'master' of https://github.com/scemama/quantum_package into stashed
Conflicts:
plugins/mrcepa0/mrcc_stoch_routines.irp.f
|
2018-01-09 12:20:19 +01:00 |
|
Yann Garniron
|
863782ab79
|
fixed merge
|
2018-01-09 10:41:45 +01:00 |
|
|
|
a68f3bb909
|
Fixed travis
|
2018-01-05 18:15:34 +01:00 |
|
