bauer/WHAM
1
0
Fork 0
mirror of https://github.com/dnlbauer/WHAM.git synced 2026-09-11 06:35:30 +00:00
Code Issues Packages Projects Releases Wiki Activity
160 Commits 2 Branches 13 Tags
c27dbb7ab508b39ad1f177c457e790a582e1cdc9
Commit Graph

81 Commits

Author SHA1 Message Date
Daniel Bauer
c27dbb7ab5 test g=1 for correlation 2021-07-17 14:42:21 +02:00
Daniel Bauer
c9e18ebda9 Squashed commit of the following: 
commit eaebf0dcbb259decbc0d8f5bbffa62244303f6c7
Author: Daniel Bauer <bauer@cbs.tu-darmstadt.de>
Date:   Sat Jul 17 14:12:30 2021 +0200

    error for empty timeseries

commit 1fe5383c5079ca6c0ad102d4e2cb32d5b1227e80
Author: Daniel Bauer <bauer@cbs.tu-darmstadt.de>
Date:   Sat Jul 17 14:09:13 2021 +0200

    refractored convdt slices calculation

commit 0b1fb7fb6a72edc50b013b59623551b2ccab6913
Author: Daniel Bauer <bauer@cbs.tu-darmstadt.de>
Date:   Sat Jul 17 13:27:59 2021 +0200

    fix histogram building without convdt

commit f9882ca4cece57451cd2971d0993a2d3621b0cdf
Author: Daniel Bauer <bauer@cbs.tu-darmstadt.de>
Date:   Sat Jul 17 12:53:06 2021 +0200

    fix tests not compiling

commit e6550e20bde3824f8199432b08777be41fc79fa8
Author: Daniel Bauer <bauer@cbs.tu-darmstadt.de>
Date:   Sat Jul 17 12:43:36 2021 +0200

    refractoring

commit 18c77a9b6694d491ef23cebb3918ccda8fcc44a5
Author: Daniel Bauer <bauer@cbs.tu-darmstadt.de>
Date:   Fri Jul 16 08:16:34 2021 +0200

    run and output for multiple datasets

commit 069f318f72207c416387007435eeff9867494e7a
Author: Daniel Bauer <bauer@cbs.tu-darmstadt.de>
Date:   Fri Jul 16 07:58:01 2021 +0200

    cleanup io.rs

commit 10efa428a0c6bf490c9f2d7a4c1df185de402a11
Author: Daniel Bauer <bauer@cbs.tu-darmstadt.de>
Date:   Thu Jul 15 19:27:22 2021 +0200

    parse multiple datasets with convdt
 2021-07-17 14:14:25 +02:00
Daniel Bauer
0b5d0ebecd test time boundaries 2021-07-17 13:31:36 +02:00
daniel
034586d08e inlined autocorrelation calculation for better performance 2020-10-26 11:24:48 +01:00
Daniel Bauer
5ca708abf1 version up 2020-10-26 10:52:22 +01:00
Daniel Bauer
ffab55e0e1 version up 2020-10-26 10:46:23 +01:00
Daniel Bauer
69d0c7ca00 better output for uncorr 2020-10-26 10:45:22 +01:00
Daniel Bauer
8a88d7742a remove gsl 2020-10-26 10:20:41 +01:00
Daniel Bauer
a856e5d34f Update cli.yml 2020-10-25 22:41:05 +01:00
Daniel Bauer
2cc34919b0 Autocorrelation (#2) 
* calculate autocorrelation stats_ineff and tau
* uncorr flag
* read timeseries into vector
* uncorrelate data
* README
* Update README.md
* Update README.md

Co-authored-by: Daniel Bauer <bauer@cbs.tu-darmstadt.de>
 2020-10-25 22:40:13 +01:00
Daniel Bauer
b9d08ae24b uncorrelate data 2020-10-25 20:36:02 +01:00
Daniel Bauer
07fc8344fe read timeseries into vector 2020-10-25 19:42:33 +01:00
Daniel Bauer
d7eea7aa03 uncorr flag 2020-10-25 19:07:33 +01:00
Daniel Bauer
3d93693eac calculate autocorrelation stats_ineff and tau 2020-10-25 18:38:25 +01:00
Daniel Bauer
05451a6cb2 cli 2020-10-24 20:44:27 +02:00
Daniel Bauer
2f93b77879 update rand lib 2020-10-24 20:35:06 +02:00
Daniel Bauer
7b39d603bd remove unneccessary parameter in bootstrapping function 2020-09-15 15:32:05 +02:00
Daniel Bauer
dc218df051 calculate SE of A directly 2020-09-15 14:48:36 +02:00
Daniel Bauer
1e27cfd457 report standard error (SE) instead of standard deviations 2020-09-15 14:10:48 +02:00
Daniel Bauer
fbdb451f6b print less 2020-03-11 09:40:01 +01:00
Daniel Bauer
d4119b2fae clean code (2) 2020-03-11 09:31:48 +01:00
Daniel Bauer
b9f6b24b20 clean code 2020-03-10 09:44:32 +01:00
Daniel Bauer
5390b089ac remove some code smell 2020-03-09 10:05:36 +01:00
Daniel Bauer
a4f3b3091c test bootstrapping 2020-03-08 12:39:41 +01:00
Daniel Bauer
08e7c93327 seedable rng 2020-03-08 12:29:52 +01:00
Daniel Bauer
936cbe1c58 add pi to min/max 2020-03-08 11:42:47 +01:00
Daniel Bauer
cd7bea063f non-cyclic 1d test 2020-03-07 21:10:31 +01:00
Daniel Bauer
aca4265a02 fix an IOB when a timeseries value is exactly on the upper histogram boundary 2018-12-06 11:40:26 +01:00
Daniel Bauer
d758c843d8 possibility to truncate timeseries with --start/stop cli arguments 2018-12-04 16:56:43 +01:00
Daniel Bauer
99f2c9069d cleanup + version 2018-11-30 13:06:58 +01:00
Daniel Bauer
c03be1723e better error messages when reading timeseries 2018-11-30 12:58:24 +01:00
Daniel Bauer
6ed0e4c49c Multithreading 2018-11-18 12:04:27 +01:00
Daniel Bauer
814230be18 fix unit tests 2018-11-13 10:36:15 +01:00
Daniel Bauer
fe5ff0a9af commenting 2018-11-13 09:32:20 +01:00
Daniel Bauer
cffa9158d0 error_analysis warnings resolved 2018-11-13 09:23:02 +01:00
Daniel Bauer
fc776fd40e bootstrapping 2018-11-13 09:20:11 +01:00
Daniel Bauer
b86a9df7fb remove TODO/comments 2018-11-13 09:19:17 +01:00
Daniel Bauer
93cd0d1a71 moved wham evaluation out of run function 2018-11-05 10:22:26 +01:00
Daniel Bauer
78c077a6f2 improved I/O error messages 2018-11-03 18:27:48 +01:00
Daniel Bauer
344066cdb8 version 0.9 2018-10-25 11:47:30 +02:00
Daniel Bauer
7773ec6c77 remove todo 2018-10-25 11:28:57 +02:00
Daniel Bauer
8e9e06a644 header for final state dump lists bins 2018-10-25 11:24:14 +02:00
Daniel Bauer
b40ad9b516 calculate total bin count during i/o 2018-10-22 10:01:34 +02:00
Daniel Bauer
c440f46a82 fix multidimensional io 2018-10-21 14:42:03 +02:00
Daniel Bauer
429224ff3f README 2018-10-21 14:23:05 +02:00
Daniel Bauer
a80b30ceca removed old test for histograms 2018-10-21 14:21:55 +02:00
Daniel Bauer
05f4815c11 fix io tests 2018-10-21 14:15:30 +02:00
Daniel Bauer
65a3306e36 perform unneeded filter 2018-10-18 01:14:12 +02:00
Daniel Bauer
f8cc8b853c iterate F without counter for convergence check 2018-10-18 01:08:32 +02:00
Daniel Bauer
c835520bf4 comments and code cleanup 2018-10-18 01:03:29 +02:00