daniel
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4f38e2a780
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reproduceable tmp pmfs
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2020-07-06 11:33:28 +02:00 |
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Daniel Bauer
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4b2a12f742
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Merge branch 'master' of https://github.com/danijoo/adaptiveumbrella
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2019-08-27 13:50:47 +02:00 |
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Daniel Bauer
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37d261638f
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allow 1 or 0 for mask
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2019-08-27 13:47:08 +02:00 |
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Daniel Bauer
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37e900dd91
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wham now uses automask
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2019-08-16 14:23:47 +02:00 |
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Daniel Bauer
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3f5100b779
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function to exclude frames
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2019-08-16 14:10:00 +02:00 |
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Daniel Bauer
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074d399984
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wham2d can now hide some output when verbose is set to False
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2019-07-31 13:10:14 +02:00 |
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Daniel Bauer
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f25288e4f5
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Update __init__.py
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2019-07-16 13:00:15 +02:00 |
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Daniel Bauer
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e226289cdd
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Update wham2d.py
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2019-07-16 12:59:49 +02:00 |
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Daniel Bauer
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a076a8de87
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set temperature for wham
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2019-07-16 12:57:18 +02:00 |
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Daniel Bauer
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c4ca1b4cc4
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version
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2018-06-27 11:20:32 +02:00 |
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Daniel Bauer
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7b3ca36061
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fix wham2d restart using data out of wham-2d bonds
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2018-06-27 11:18:17 +02:00 |
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Daniel Bauer
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093581656a
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fix borders
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2018-06-25 14:55:39 +02:00 |
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Daniel Bauer
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2a71da1059
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wham2d now uses minimal dimensios for wham exec
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2018-06-21 11:52:50 +02:00 |
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Daniel Bauer
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2805169885
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error code fix
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2018-06-20 22:50:28 +02:00 |
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Daniel Bauer
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4ed88297d4
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wham exit code
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2018-06-20 17:23:55 +02:00 |
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Daniel Bauer
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f330798c84
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generalized wham2d impl
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2018-06-20 14:57:47 +02:00 |
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Daniel Bauer
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9a6f6f28c5
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version up
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2018-06-18 09:40:30 +02:00 |
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Daniel Bauer
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e52f8738d1
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flag to reset energy after each cycle
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2018-06-18 09:39:58 +02:00 |
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Daniel Bauer
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510cc6f04b
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example
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2018-06-17 22:39:35 +02:00 |
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Daniel Bauer
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3187ee7345
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some bugfixes
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2018-06-17 13:56:50 +02:00 |
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Daniel Bauer
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025f397bc1
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only sample neighboring windows
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2018-06-17 11:54:25 +02:00 |
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Daniel Bauer
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778e2d08df
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refractoring
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2018-06-17 10:08:55 +02:00 |
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