bauer/lj_monte_carlo
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  • 3637253f84 cleanup (2) master Daniel Bauer 2017-02-19 13:29:27 +01:00
  • d557c511e1 updated gitignore Daniel Bauer 2017-02-15 22:41:24 +01:00
  • 1df8983972 small and big fixes :) Daniel Bauer 2017-02-15 22:40:10 +01:00
  • 1976ff1730 fixed mc Daniel Bauer 2017-02-04 01:27:17 +01:00
  • d991ded220 fixed virial test Daniel Bauer 2017-02-04 01:00:28 +01:00
  • 60733f3531 comments Daniel Bauer 2017-02-04 00:48:22 +01:00
  • de10169e06 qwerty Daniel Bauer 2017-02-03 14:57:05 +01:00
  • c471de3fe1 widom does oneinsertion per default now Daniel Bauer 2017-02-03 10:59:05 +01:00
  • ea93de98b2 tension results bauer 2017-02-03 09:08:31 +01:00
  • 8e528c71eb more results bauer 2017-02-03 08:54:27 +01:00
  • e6eaa62a62 surface tension reimplemented as running average (and maybe correct values now) danijoo 2017-02-02 18:56:00 +01:00
  • 8b9aa858ca widom fixes danijoo 2017-02-02 16:48:54 +01:00
  • af264ddef5 move trj danijoo 2017-01-30 09:40:59 +01:00
  • 8b7d2ec1a2 some fixes and updates danijoo 2017-01-30 09:40:35 +01:00
  • aa507b6278 trjconv can now skip frames danijoo 2017-01-28 20:00:39 +01:00
  • a6630b0234 at vacuum space at very beginning danijoo 2017-01-28 19:59:49 +01:00
  • 81054e5551 fixed distance calculation over pbc danijoo 2017-01-28 19:57:11 +01:00
  • 6f94757535 Merge branch 'master' of https://github.com/danijoo/lj_monte_carlo Daniel Bauer 2017-01-27 15:11:42 +01:00
  • 98bd75ebfd forgot what this commit is about Daniel Bauer 2017-01-27 15:11:29 +01:00
  • 5832b0f7ff Delete mclj.iml danijoo 2017-01-24 00:03:04 +01:00
  • 7542a0761f Update README.md danijoo 2017-01-24 00:02:28 +01:00
  • b68e4be2a3 readme Daniel Bauer 2017-01-24 00:01:32 +01:00
  • 409efbcbd4 FoS Daniel Bauer 2017-01-23 23:54:57 +01:00
  • 29768e5d1e surface tension fix danijoo 2017-01-23 21:46:45 +01:00
  • 72ca57d357 cargo binaries danijoo 2017-01-23 08:59:48 +01:00
  • cd94c50fb2 surface tension and widom particle insertion (WIP) danijoo 2017-01-23 08:59:29 +01:00
  • e73d347b8b Merge branch 'master' of https://github.com/danijoo/lj_monte_carlo danijoo 2017-01-22 03:38:49 +01:00
  • f75fb8ac54 typo danijoo 2017-01-22 03:37:31 +01:00
  • cf1a901fcf fixed vacuum space initial conditions danijoo 2017-01-22 01:47:13 +01:00
  • 9767d3bab4 fixed some output problems danijoo 2017-01-22 01:40:47 +01:00
  • 23673a1691 Create LICENSE danijoo 2017-01-22 01:15:23 +01:00
  • f1c1fb7306 readme danijoo 2017-01-22 01:07:39 +01:00
  • 757ba2ba9f script to filter trajectories danijoo 2017-01-22 01:07:15 +01:00
  • ee1061f5b7 vacuum slab danijoo 2017-01-22 01:00:26 +01:00
  • 93bfc18b89 writing trajectories danijoo 2017-01-22 00:50:15 +01:00
  • 1d38e85964 Cmd args and nice output alignment danijoo 2017-01-21 15:36:53 +01:00
  • 96783abf5e scale displacement danijoo 2017-01-21 14:58:22 +01:00
  • 08fa9bd150 better output danijoo 2017-01-21 14:43:14 +01:00
  • bc455738f4 support of differnt box dimensions danijoo 2017-01-21 14:36:54 +01:00
  • ff4e56ad8b gitignore danijoo 2017-01-21 14:18:13 +01:00
  • f95c1da06a initial danijoo 2017-01-21 14:03:08 +01:00