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bc0ff0db61
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Commit2 JT 092319
- added enum to min.h (for norm choice)
- completed doc min_modify
- corrected torque tol issue in spin/min
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2019-09-23 13:48:33 -06:00 |
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56e1a05287
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Commit JT 092319
- modified norm input in min_modify
- corrected doc/src/min_modify.txt
- added expression of the norms
- added a min max method in src/min.h
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2019-09-23 11:12:31 -06:00 |
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b5621b2c90
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Merge branch 'master' of github.com:alxvov/lammps into OSO
Conflicts:
src/SPIN/neb_spin.cpp
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2019-07-30 09:14:49 -06:00 |
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c5b7a36eeb
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Commit JT 072619
- added a min_style option for norm type (euclidean or Max)
- adapted and tested spin minimizers
- adapted (net tested) regular minimizers
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2019-07-26 17:33:49 -06:00 |
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256531a29a
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put implementation header first for all remaining main folder source files
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2019-07-03 19:34:13 -04:00 |
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96744c4933
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more include file cleanup
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2019-06-30 15:53:17 -04:00 |
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a726362888
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Commit JT 032519
- adding all min files into new branch
- preparing branch for pull request of spin minimizer
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2019-03-25 12:57:42 -06:00 |
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e4071d7f46
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replace C-style include files with their C++ equivalents
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2018-04-27 18:00:24 -04:00 |
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99d5957a01
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make default argument of virtual function Neighbor::build() explicit
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2018-02-22 08:42:36 -05:00 |
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0966e14e73
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more changes to rRESPA neighbor lists
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2017-10-17 17:33:01 -06:00 |
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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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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
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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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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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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8088 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-05-18 16:35:19 +00:00 |
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e4974ae9af
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8016 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-04-12 22:32:17 +00:00 |
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3450c008aa
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7850 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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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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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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d0efe70181
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2011-08-25 22:25:06 +00:00 |
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aedbb28b6c
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2011-06-30 20:10:18 +00:00 |
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1f2a7add78
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2011-03-26 00:50:29 +00:00 |
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