LCPQ/quantum_package
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Code Issues Releases Wiki Activity
2,815 Commits 6 Branches 5 Tags 93 MiB
a254fdd7cf
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33 Commits

Author SHA1 Message Date
Yann Garniron
a254fdd7cf parallel bug 2018-08-30 15:24:07 +02:00
Yann Garniron
2a6c1941d4 corrected when relative_error=0d0 2018-08-30 11:43:11 +02:00
Yann Garniron
bac039bdf1 relative error 1d-5 2018-08-30 10:58:17 +02:00
Yann Garniron
aae9d203ec potential fragmentation bug 2018-08-30 10:07:02 +02:00
Yann Garniron
ad69f39f99 dress_zmq re-implemented 2018-08-29 20:54:58 +02:00
Yann Garniron
3044e7e72a removed limit to deterministic set size 2018-05-23 13:13:30 +02:00
Yann Garniron
f45fc46b4f multistate shifted_bk 2018-05-17 16:02:51 +02:00
Yann Garniron
7cc33f1ab3 shifted-bk selection iterates 2018-05-14 13:00:04 +02:00
Yann Garniron
9823fed7be merged with master 2018-05-09 15:03:31 +02:00
Yann Garniron
d5f66787fe real(4) dressing restored 2018-05-02 14:32:41 +02:00
Yann Garniron
727c9a84cd improved synchronization 2018-05-01 17:43:46 +02:00
Yann Garniron
c2343ae337 removed barrier at end of checkpoint 2018-05-01 15:08:41 +02:00
Yann Garniron
c14fe5b99f per checkpoint dressing communication - buggy 2018-05-01 13:16:10 +02:00
Yann Garniron
f61661a832 OMP master 2018-04-30 13:25:58 +02:00
Yann Garniron
9966697ab2 real(4) dressing 2018-04-30 09:33:25 +02:00
Yann Garniron
12e527157c sparse vectors 2018-04-29 17:09:46 +02:00
Yann Garniron
274bb043c2 reduce tasks 2018-04-27 12:41:39 +02:00
Anthony Scemama
7411dd2891 analyze_wf 2018-04-09 18:34:45 +02:00
Yann Garniron
2e3c54e278 fixed custom buffers 2018-04-04 11:32:27 +02:00
Yann Garniron
4aa4c6c96e custom buffers in dress_zmq 2018-03-30 18:22:14 +02:00
Yann Garniron
de1b5d6874 further small improvements 2018-03-28 16:23:30 +02:00
Yann Garniron
4394c04728 reduced bandwidth and checkpoint updates 2018-03-27 16:22:14 +02:00
Anthony Scemama
5a8ab847b9 Multistate dressing OK 2018-03-23 13:47:47 +01:00
Anthony Scemama
437df9439d
corrected bitmask in Full_CI_ZMQ - seemingly working shiftedbk (#68) 
* corrected bitmask in Full_CI_ZMQ - seemingly working shiftedbk

* removed set_generators_bitmasks_as_holes_and_particles from dress_zmq

* removed dress_zmq dependency to MRCC_Utils
 2018-03-20 13:11:53 +01:00
Yann Garniron
ade11beb25 corrected bitmask in Full_CI_ZMQ - seemingly working shiftedbk 2018-03-15 17:47:32 +01:00
Anthony Scemama
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
Anthony Scemama
8f6e7f4a40 Added Bk module 2018-03-05 17:04:26 +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
Anthony Scemama
02ff02256d Merge branch 'alpha_factory' of github.com:garniron/quantum_package 2018-02-26 19:06:11 +01:00
Yann Garniron
95a1cddf43 commented out computation of excitations 2018-02-16 11:50:49 +01:00
Yann Garniron
eacc63624c minilisted dress_zmq - mrcc_sto as unittest 2018-02-14 10:33:11 +01:00
Yann Garniron
ff8bc16a9c dress_zmq with null dressing 2017-12-15 16:21:04 +01:00