Kevin Gasperich
|
464a6d70c4
|
resolved dev kpts merge
|
2020-06-16 10:38:27 -05:00 |
|
|
|
ef9e61bd24
|
Merge branch 'dev' of https://github.com/QuantumPackage/qp2 into dev
|
2020-04-28 15:49:18 +02:00 |
|
|
|
f182626685
|
Fixed Forcing kill message
|
2020-04-23 23:18:12 +02:00 |
|
|
|
ddb8f64829
|
Merge lpqlx139:qp2 into dev
Conflicts:
src/zmq/utils.irp.f
|
2020-04-22 01:58:17 +02:00 |
|
|
|
27369e5df8
|
Commented ZMH_HWM
|
2020-04-21 23:30:37 +02:00 |
|
|
|
b1673f66a8
|
istep in davidson_parallel
|
2020-04-21 01:03:57 +02:00 |
|
Kevin Gasperich
|
b2a928f022
|
fixed complex dist davidson (zmq)
|
2020-04-03 10:23:35 -05:00 |
|
|
|
ac35c8dbbb
|
Added f77_zmq_free.h for gfortran
|
2020-03-05 14:19:43 +01:00 |
|
|
|
28578c0562
|
use zmq_f77_free.h
|
2020-03-05 08:51:39 +01:00 |
|
Kevin Gasperich
|
338e793ed6
|
complex zmq determinants
|
2020-02-24 16:36:56 -06:00 |
|
|
|
0b2fe07290
|
New selection scheme with SA, variance and rPT2
|
2019-12-17 10:54:03 +01:00 |
|
|
|
d9a88399d1
|
Merge branch 'master' into dev
|
2019-07-09 17:15:41 +02:00 |
|
|
|
e0b06889c8
|
Cleaning
|
2019-07-09 17:15:30 +02:00 |
|
|
|
3763767f77
|
Fix bug with deterministic PT2
|
2019-07-09 13:40:06 +02:00 |
|
|
|
e6eb789ab3
|
Dev lcpq (#49)
* Add energy components
* Fixed beta_rs
* Update do_single_excitation
|
2019-06-17 17:12:17 -05:00 |
|
|
|
191d8ff0af
|
Added qp_tunnel
|
2019-06-15 00:43:09 +02:00 |
|
|
|
9babb038dc
|
Fixed davidson ZMQ termination
|
2019-02-05 18:44:03 +01:00 |
|
|
|
acab743773
|
Distributed only when Ndet > 100 000
|
2019-02-04 18:21:21 +01:00 |
|
|
|
df3a4fce2b
|
Optimized communications
|
2019-02-04 13:20:24 +01:00 |
|
|
|
ca26262907
|
Type error in sending
|
2019-01-31 17:57:36 +01:00 |
|
|
|
8bd05b2c3f
|
Asynchronous ZMQ
|
2019-01-31 17:23:47 +01:00 |
|
|
|
8f4450f8c5
|
Reduced ZMQ buffers
|
2019-01-29 21:48:59 +01:00 |
|
|
|
318b1af239
|
Fixing Davidson
|
2019-01-26 19:13:31 +01:00 |
|
|
|
f1e14f0851
|
Fixing Davidson
|
2019-01-26 12:37:25 +01:00 |
|
|
|
24d9745056
|
Initial commit
|
2019-01-25 11:39:31 +01:00 |
|
