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Author	SHA1	Message	Date
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
Daniel Bauer	8b6feced20	smaller example files	2018-10-15 00:03:47 +02:00
Daniel Bauer	83b3b46cc1	ignore failing tests for now. TODO!	2018-10-14 22:55:42 +02:00
Daniel Bauer	7a371b9bb2	small performance improvments?	2018-10-14 22:46:15 +02:00
Daniel Bauer	1da5bc7000	output example	2018-10-14 22:31:27 +02:00
Daniel Bauer	652b6c5c81	use slices instead of vector references	2018-10-14 15:49:00 +02:00
Daniel Bauer	4f3324a057	fix timeseries read in	2018-10-14 13:58:32 +02:00
Daniel Bauer	22fa7709bb	cli documentation	2018-10-14 13:58:19 +02:00