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92 Commits 2 Branches 13 Tags
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92 Commits

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Author SHA1 Message Date
Daniel Bauer
8876997583 Update .travis.yml 2018-11-13 10:31:18 +01:00
Daniel Bauer
d7fa61b0fa Update .travis.yml 2018-11-13 10:31:02 +01:00
Daniel Bauer
b20ddc1634 Update .travis.yml 2018-11-13 10:25:42 +01:00
Daniel Bauer
197978e0f1 Update .travis.yml 2018-11-13 10:21:13 +01:00
Daniel Bauer
957069a92c Update .travis.yml 2018-11-13 10:15:41 +01:00
Daniel Bauer
2c35fb7484 Update .travis.yml 2018-11-13 10:12:34 +01:00
Daniel Bauer
63f4ac2217 Update .travis.yml 2018-11-13 10:08:24 +01:00
Daniel Bauer
005b08c7bd Update README.md 2018-11-13 10:05:33 +01:00
Daniel Bauer
3a1727c29b package descriptions 2018-11-13 09:59:42 +01:00
Daniel Bauer
7c831e5fa5 readme 2018-11-13 09:51:19 +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
193ed89d5e integration test for max iterations 2018-11-05 10:26:30 +01:00
Daniel Bauer
93cd0d1a71 moved wham evaluation out of run function 2018-11-05 10:22:26 +01:00
Daniel Bauer
d5df049151 fix 1d integration test 2018-11-05 10:21:47 +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
f0c2830e6d usage 2018-10-25 11:47:17 +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
5842a33f44 more todo 2018-10-21 14:44:12 +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
29d20ae3b3 Merge branch 'master' of github.com:danijoo/WHAM 2018-10-21 14:15:39 +02:00
Daniel Bauer
05f4815c11 fix io tests 2018-10-21 14:15:30 +02:00
Daniel Bauer
b1bc761f3a Update README.md 2018-10-18 21:32:15 +02:00
Daniel Bauer
32df9a14dd Update .travis.yml 2018-10-18 11:12:02 +02:00
Daniel Bauer
b9e3f04e7c Update README.md 2018-10-18 11:10:32 +02:00
Daniel Bauer
857b223d08 Merge pull request #1 from danijoo/ci 
Create .travis.yml
 2018-10-18 11:07:15 +02:00
Daniel Bauer
02cca79ea0 Create .travis.yml 2018-10-18 11:01:32 +02:00
Daniel Bauer
f7772e594b rename 2018-10-18 10:46:20 +02:00
Daniel Bauer
558c8f6534 add fileextension to 2d timeseries 2018-10-18 01:50:11 +02:00
Daniel Bauer
fe46cba7da typo 2018-10-18 01:43:26 +02:00
Daniel Bauer
b442c89c9d examples in README 2018-10-18 01:42:13 +02:00
Daniel Bauer
b07ae58051 README/LICENSE 2018-10-18 01:34:11 +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
a13ebded6d Merge branch 'precalc' 2018-10-18 01:03:39 +02:00
Daniel Bauer
c835520bf4 comments and code cleanup 2018-10-18 01:03:29 +02:00
Daniel Bauer
6b9661bd13 use exp(F) and exp(U) for wham iterations - huge performance increase! 2018-10-18 00:13:54 +02:00
Daniel Bauer
b064ecea6d calc exp(F/kT) instead of F for each window 2018-10-17 10:21:19 +02:00
Daniel Bauer
40bb99a612 cache exp(-U/kT) instead of U 2018-10-17 10:20:48 +02:00
Daniel Bauer
7fd78fc2a5 normalize P for final dump/output 2018-10-16 22:52:08 +02:00
Daniel Bauer
0cdf300415 gitignore 2018-10-16 21:26:43 +02:00
Daniel Bauer
764804d06f set optlevel and cpu-target=native 2018-10-15 11:19:41 +02:00
Daniel Bauer
b07c88ddf8 integration tests 2018-10-15 00:23:28 +02:00