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 |
|
|
|
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 |
|
