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Author SHA1 Message Date
Daniel Bauer
6f35f15e46 faster tests (2) 2021-07-22 16:34:43 +02:00
Daniel Bauer
b6881a6db1 code formatting 2021-07-22 15:48:14 +02:00
Daniel Bauer
ec7024a285 Squashed commit of the following: 
commit 07e5a0a1a5cef7b99ac8602fa39226ddce175b67
Author: Daniel Bauer <bauer@cbs.tu-darmstadt.de>
Date:   Thu Jul 22 12:48:35 2021 +0200

    version up

commit 4c58f5a42c091a480473809f8fdb5c4f361b8883
Author: Daniel Bauer <bauer@cbs.tu-darmstadt.de>
Date:   Thu Jul 22 12:22:01 2021 +0200

    test convdt needs start/end

commit fad1c0c4fca3cffe91db32c7e4d91139a6513a9f
Author: Daniel Bauer <bauer@cbs.tu-darmstadt.de>
Date:   Thu Jul 22 12:14:21 2021 +0200

    unit test for empty timeseries

commit cdf520aad6e70ea22d96363d28c1110d3d5bc3e0
Author: Daniel Bauer <bauer@cbs.tu-darmstadt.de>
Date:   Thu Jul 22 11:51:12 2021 +0200

    refractored convdt slices; fix issue with incomplete convdt slices

commit 5b33d9cb61b59ead4a22f03ae3981175feb25770
Author: Daniel Bauer <bauer@cbs.tu-darmstadt.de>
Date:   Thu Jul 22 10:37:13 2021 +0200

    test dataset for convdt

commit 023bba0a0d46929b3ea4c2ede075b851deb7b779
Author: Daniel Bauer <bauer@cbs.tu-darmstadt.de>
Date:   Thu Jul 22 10:36:45 2021 +0200

    force --start and --end with --convdt
 2021-07-22 12:52:50 +02:00
Daniel Bauer
b6f338058a faster tests v1.1.3 2021-07-21 23:25:10 +02:00
Daniel Bauer
e0d2c1375a test convdt 2021-07-21 23:10:09 +02:00
Daniel Bauer
8802979a8e delete test files 2021-07-21 22:43:32 +02:00
Daniel Bauer
2d32d795f5 fix unit tests 2021-07-21 22:43:25 +02:00
Daniel Bauer
35ca1b1317 version up v1.1.2 2021-07-21 16:47:32 +02:00
Daniel Bauer
d9a219a36a better verbose output during dataset generation and flag to ignore empty histograms 2021-07-21 16:45:58 +02:00
Daniel Bauer
2c565dee28 remove some debug statements 2021-07-19 08:32:57 +02:00
Daniel Bauer
c05becea22 version up v1.1.0 2021-07-17 14:44:09 +02:00
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 Bauer
091b1f1382 TODO 2021-07-17 13:04:42 +02:00
Daniel Bauer
9849c00321 cargo ignore examples 2021-07-17 11:30:42 +02:00
daniel
034586d08e inlined autocorrelation calculation for better performance 2020-10-26 11:24:48 +01:00
Daniel Bauer
cc4448f1d8 Update README.md 2020-10-26 10:53:57 +01:00
Daniel Bauer
5ca708abf1 version up v1.0.0 2020-10-26 10:52:22 +01:00
Daniel Bauer
31ffb5958d Merge branch 'corr' of github.com:danijoo/WHAM into corr 2020-10-26 10:46:43 +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
18debf1a28 Update README.md 2020-10-25 22:48:38 +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
cd57289211 Update README.md 2020-10-25 22:39:15 +01:00
Daniel Bauer
9d8423bce9 Update README.md 2020-10-25 22:36:27 +01:00
Daniel Bauer
2876c1dc3a README 2020-10-25 20:49:52 +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
38c30baa5b category 2020-10-24 20:53:07 +02:00
Daniel Bauer
b130596fe8 Merge branch 'master' of github.com:danijoo/WHAM v0.9.9 2020-10-24 20:44:30 +02:00
Daniel Bauer
05451a6cb2 cli 2020-10-24 20:44:27 +02:00
Daniel Bauer
bf8bf39319 edit todo 2020-10-24 20:44:18 +02:00
Daniel Bauer
6c63eda769 Update README.md 2020-10-24 20:43:54 +02:00
Daniel Bauer
1bbafeba70 lock update 2020-10-24 20:38:37 +02:00
Daniel Bauer
64f468e636 version up 2020-10-24 20:35:24 +02:00
Daniel Bauer
2f93b77879 update rand lib 2020-10-24 20:35:06 +02:00
Daniel Bauer
b148998b11 update GSL version 2020-10-24 20:21:32 +02:00
Daniel Bauer
87f3cceb6a keywords,categories 2020-10-24 20:06:28 +02:00
Daniel Bauer
7b39d603bd remove unneccessary parameter in bootstrapping function 0.9.8 v0.9.8 2020-09-15 15:32:05 +02:00
Daniel Bauer
465f46b280 fix unit tests 2020-09-15 15:20:40 +02:00
Daniel Bauer
d221fc7195 lock 2020-09-15 14:49:03 +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
7116142c2a .gitignore 2020-03-11 09:40:31 +01:00
Daniel Bauer
fbdb451f6b print less 2020-03-11 09:40:01 +01:00