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6345e6b760
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Finalized boxrelax option
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2017-08-16 16:54:49 +02:00 |
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a2cf4e98b7
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partially adding boxrelax
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2017-08-16 11:48:41 +02:00 |
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a438d2c856
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Removing relaxbox code. Cleanup of the code. Add some parameter check. Improved documentation.
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2017-08-15 17:02:58 +02:00 |
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d156263f54
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Add relax_box function. Adapted documentation.
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2017-08-11 13:39:13 +02:00 |
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8053375a72
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Remove un-necessary option adaptstep in adaptglok. Adapted documentation.
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2017-08-07 17:35:24 +02:00 |
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bf85b04aaf
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New options adaptstep and halfstepback in adaptglok. Adapted documentation.
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2017-08-04 16:43:23 +02:00 |
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f9315a7ad9
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Correct calculation of the Forces within the Verlet integrator. Updated doc.
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2017-07-17 14:10:17 +02:00 |
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e5e630ee09
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new integrator to adaptblok: standard Euler (idem lammps-Fire)
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2017-07-14 14:23:00 +02:00 |
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89c9c32c30
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multi-integrator version of adaptglok: semi-implicit Euler, Verlet and Leap Frog
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2017-07-12 21:58:23 +02:00 |
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5055b2ab7d
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Merge remote-tracking branch 'upstream/master'
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2017-07-11 20:04:26 +02:00 |
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9c9f6933cd
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final cleanup? min_modify options, quick documentation
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2017-07-11 17:46:24 +02:00 |
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7d1a76f6a5
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more cleanup, var name, remove screen output
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2017-07-11 16:17:21 +02:00 |
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fe940abecf
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update
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2017-06-30 18:35:59 +02:00 |
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a714b57741
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make neighbor list reset message for minimization more explicit
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2017-06-22 19:07:57 -04:00 |
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7f49ee8fd7
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print warning about minimization energy with fix box/relax
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2017-05-03 15:33:22 -04:00 |
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49dd9449b8
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fix gcmc updates from Aidan, trimming of output for replica commands
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2017-04-11 08:35:09 -06:00 |
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f6a819580c
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pair TIP4P bug fix for cutoffs >> box size
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2017-01-06 09:57:27 -07:00 |
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b936d69f12
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15393 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-07-29 14:28:58 +00:00 |
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d55f968432
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2016-06-17 23:48:15 +00:00 |
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86fc7d455c
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2016-03-22 00:17:14 +00:00 |
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d4a5571aab
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2016-01-23 00:47:55 +00:00 |
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354e20f431
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-30 20:04:06 +00:00 |
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56ee1b670b
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2015-10-05 15:13:56 +00:00 |
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ce59e32d1c
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2015-08-28 20:00:56 +00:00 |
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b35f4e52db
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13631 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-07-17 15:04:19 +00:00 |
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53c37d5bda
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2015-02-06 18:35:38 +00:00 |
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463db58583
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Made line quadratic default and changed backtrack alpha zero check to be more friendly
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12531 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-09-24 00:45:19 +00:00 |
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7ce215970b
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Changed comment
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12522 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-09-18 22:41:21 +00:00 |
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1f667449d1
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2014-06-04 20:52:04 +00:00 |
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5e1d34a23d
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2014-03-10 15:56:49 +00:00 |
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b0007d45b7
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2013-06-29 21:27:42 +00:00 |
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7a286596d8
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2013-02-08 21:38:50 +00:00 |
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da49b01f76
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2013-01-03 17:17:45 +00:00 |
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bb48c5ccdc
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2012-06-18 23:49:36 +00:00 |
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a8af5ea42f
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2012-06-18 23:03:41 +00:00 |
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7a2e00bbf1
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2012-06-08 16:00:32 +00:00 |
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a1209775b4
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2012-06-06 23:56:25 +00:00 |
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ef9e700545
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2012-06-06 22:47:51 +00:00 |
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e8308edb15
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2012-05-18 16:35:19 +00:00 |
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e4974ae9af
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2012-04-12 22:32:17 +00:00 |
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3450c008aa
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2012-02-28 17:29:18 +00:00 |
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52568d2738
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2012-02-28 17:19:20 +00:00 |
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9d88ab7ee1
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Added forcezero linesearch method
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2012-02-02 23:19:33 +00:00 |
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4f48544d41
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2011-12-16 21:15:49 +00:00 |
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62b27e5915
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2011-12-08 23:20:32 +00:00 |
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8c372f6c41
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2011-12-01 17:21:19 +00:00 |
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181c77d346
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2011-11-08 14:51:25 +00:00 |
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c6bbdcfbf2
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2011-10-24 20:28:02 +00:00 |
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19e8c92a90
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2011-09-23 18:06:55 +00:00 |
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3179014485
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2011-08-27 20:01:42 +00:00 |
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