Commit graph

226 commits

Author SHA1 Message Date
30f42cd654
remove debug message 2022-12-16 18:33:25 -05:00
5696c2def0
do not load/save to disk on every trajectory 2022-12-16 14:45:30 -05:00
98244a388f
correctly sort results 2022-12-13 10:07:28 -05:00
e27e38b656
implement ensemble value mean for multiple snapshots 2022-12-09 16:14:05 -05:00
3890771074
support unequal sample sizes when dividing ensemble values 2022-12-09 15:56:45 -05:00
1ed2d65605
fix typo in online analysis snapshotting 2022-12-09 15:41:20 -05:00
40ea31b052
add a utility to get all snapshots from the path 2022-12-09 15:19:54 -05:00
e9900520c4
allow a callable to decide when to save a snapshot 2022-12-09 15:06:46 -05:00
cd5f82d044
implementing saving snapshots every N samples for online analysis 2022-12-09 15:04:59 -05:00
8ede222312
update deps 2022-12-02 15:26:37 -05:00
9c3fc669f6
implement division 2022-12-02 14:00:51 -05:00
51a55945cc
fix resizing 2022-12-01 00:27:24 -05:00
73a25f7d77
remove forgotten import 2022-12-01 00:17:02 -05:00
5afd2b6e08
implement dumpy to np 2022-11-30 18:14:42 -05:00
76c4878d04
use cloudpickle 2022-11-30 14:24:24 -05:00
9f816d8a1b
fix tracking :) 2022-11-30 13:26:37 -05:00
e8a39d5b03
lock the dumping of the out file 2022-11-30 12:49:38 -05:00
a5381b3cf9
remove sample tracking from ensemblevalue
This reverts commit d75ca67126.
2022-11-30 12:27:41 -05:00
f9e13e0e1b
add tracking to welford 2022-11-30 12:17:01 -05:00
d75ca67126
add sample tracking to ensemblevalue 2022-11-30 12:02:02 -05:00
f8b554fcfe
do not allow adding values with different bath numbers 2022-11-29 18:11:07 -05:00
e2f1c76090
rev version 2022-11-29 15:18:16 -05:00
88ca1024e0
Merge remote-tracking branch 'origin/online_calculation' 2022-11-29 15:17:46 -05:00
0d9aef9364
update deps 2022-11-28 17:41:14 -05:00
7df9cdf5e5
remove plt 2022-11-24 22:00:55 +01:00
1f64833bc6
update deps 2022-11-24 21:10:59 +01:00
cc6d0a5d97
update deps 2022-11-24 21:04:27 +01:00
cbbca94848
use new stocproc for 10 2022-11-24 21:04:00 +01:00
270746cc7c
update flake 2022-10-28 14:16:27 +02:00
37614ab03d
correct typo in docstring 2022-10-28 13:53:02 +02:00
c78cfa4269 correct dependencies 2022-08-29 16:21:26 +02:00
cf3a38afa4 support the online calculation of the bath observables 2022-08-29 16:14:57 +02:00
ff4391dcbe do not wait for gc if there is no gc sleep 2022-08-22 17:47:36 +02:00
b6512624cb
remove exptra gc collects 2022-08-14 15:54:11 +02:00
fed2d1fb58
fix consistency for scalars 2022-08-14 15:53:46 +02:00
eebfafa58a
fix for_bath 2022-08-14 15:53:37 +02:00
0c6ccdf154
fix slice 2022-08-14 15:53:15 +02:00
af1ca7465e rev version 2022-08-03 15:34:50 +02:00
cba5ed6a03 add operation_expectation_from_data 2022-08-03 15:34:23 +02:00
538a7c8e03 formatting 2022-08-03 15:34:14 +02:00
587372edb0 formatting 2022-08-03 15:33:59 +02:00
56ecd27e6d fix consistency calculation 2022-08-03 15:33:47 +02:00
ff53c48cb4 correct scaling in stocproc 2022-08-03 15:33:12 +02:00
881933510e support multiple baths in only_therm 2022-08-03 15:32:47 +02:00
6ebe8c7ca8 update deps 2022-08-03 15:32:31 +02:00
6bd9fa5787 implement the therm_args correctly 2022-07-25 16:06:19 +02:00
87aaf4a8e3 allow the construction of the therm params from hi_data 2022-07-23 18:07:49 +02:00
154d0f82ad fix small bug in bcf fitting 2022-07-23 18:07:09 +02:00
6b00b566b8 yet more formatting 2022-07-23 18:06:38 +02:00
766fd00f58 narrow down roots in old gaussflow as well 2022-07-23 18:05:58 +02:00