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mirror of https://github.com/LCPQ/quantum_package synced 2024-12-25 13:53:49 +01:00
Commit Graph

32 Commits

Author SHA1 Message Date
5627445e6f Removed rmcc_zmq from tests 2018-06-28 10:38:57 +02:00
724cab95f4 Fixed bound 2018-06-27 16:31:48 +02:00
256048d24f Fixed MRCC 2018-06-27 15:20:33 +02:00
db6ab659a1 S2 2018-05-24 16:19:27 +02:00
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
Yann Garniron
22b2870b9f corrected assert(N_states>1) 2018-03-01 11:35:00 +01:00
02ff02256d Merge branch 'alpha_factory' of github.com:garniron/quantum_package 2018-02-26 19:06:11 +01:00
Yann Garniron
10ffd8f789 non-working mrcc_sto 2018-02-19 17:15:59 +01:00
Yann Garniron
eacc63624c minilisted dress_zmq - mrcc_sto as unittest 2018-02-14 10:33:11 +01:00
Yann Garniron
ff1ef59d32 merged with scemama 2018-02-09 09:58:19 +01:00
Yann Garniron
f8924a82f4 reduced write on checkpoints 2018-02-02 13:10:14 +01:00
Yann Garniron
045109056f bug with zmq_state 2018-01-13 01:55:54 +01:00
2550047bb2 Fixed mrcc stoch 2018-01-10 19:30:02 +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
333b4b1b07 Fixed MRCEPA 2017-12-18 18:40:49 +01:00
7fe2ff4605 Merge branch 'master' of github.com:scemama/quantum_package
Conflicts:
	plugins/mrcepa0/mrcc_stoch_routines.irp.f
2017-12-18 18:37:04 +01:00
7bb866e8ad Forgot file 2017-12-18 18:05:06 +01:00
Anthony Scemama
87e00d415b
mrcc_zmq updated for recent changes (#57) 2017-12-18 09:34:06 +01:00
Yann Garniron
7d0af98625 mrcc_zmq updated for recent changes 2017-12-11 15:28:24 +01:00
garniron
a14e69bdb7
Merge branch 'master' into master 2017-12-06 16:16:44 +01:00
44f91e4187 MRCC merge with garniroy, broken 2017-12-04 12:04:46 +01:00
Anthony Scemama
a846375d25
MRCC stoch (#56)
* experimental mrcc_sto

* experimental (not working) delta_cancel

* delta_cancel was uninitialized

* mrcc dressing on first column ; mrcc_stoch estimates energy from dressing

* mrcc_zmq

* checkpointed mrcc_zmq

* corrected small bias - better balanced checkpoints

* checkpoints were triggered at wrong time

* hardcoded and arbitrary target absolute error for mrcc_zmq

* removed delta_ij_cancel

* removed useless parameter coef in mrcc_part_dress_1c
2017-12-04 10:49:37 +01:00
Yann Garniron
aec9872ccb removed delta_ij_cancel 2017-11-21 14:55:31 +01:00
Yann Garniron
e1fb8eded2 hardcoded and arbitrary target absolute error for mrcc_zmq 2017-11-20 10:56:04 +01:00
Yann Garniron
159b4ce498 checkpoints were triggered at wrong time 2017-11-07 15:04:12 +01:00
Yann Garniron
db5d329062 corrected small bias - better balanced checkpoints 2017-11-07 11:46:39 +01:00
Yann Garniron
19f3671775 checkpointed mrcc_zmq 2017-11-06 13:18:23 +01:00
Yann Garniron
d84fbabb8d mrcc_zmq 2017-10-27 11:14:22 +02:00
Yann Garniron
2f2840ebb5 missing files....... 2017-10-23 09:57:33 +02:00