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536e7a969a
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silence compiler warning and provide extra comment about optimization
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2020-03-09 09:17:49 -04:00 |
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a3eee419a1
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minor optimization, avoiding double computation and extra communication
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2020-03-06 09:01:28 -06:00 |
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7bef07e9f7
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Merge branch 'master' into HEAD
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2019-11-04 16:52:02 -05:00 |
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1074884f74
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Commit JT 110419
- removed fmax uninitialized variable from min_cg.cpp
- removed tabs from comments
- initialized fdotf variables
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2019-11-04 09:04:43 -07:00 |
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b6b022b610
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whitespace cleanup: remove trailing blanks
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2019-11-03 11:03:39 -05:00 |
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9e7ca428aa
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whitespace cleanup: remove (evil) tabs
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2019-11-03 11:01:42 -05:00 |
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d9306a5865
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Commit JT 092419
- added inf norm option
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2019-09-24 13:58:56 -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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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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d55f968432
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-06-17 23:48:15 +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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cee848f948
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2015-10-22 22:06:49 +00:00 |
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ce59e32d1c
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2015-08-28 20:00:56 +00:00 |
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f14e5cdce6
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2014-11-18 00:15:46 +00:00 |
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ef9e700545
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-06-06 22:47:51 +00:00 |
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19e8c92a90
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-09-23 18:06:55 +00:00 |
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d51c47d9ab
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2011-02-22 22:09:18 +00:00 |
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01db59bea3
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2011-01-06 23:23:37 +00:00 |
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d5aa03447b
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2011-01-04 19:12:58 +00:00 |
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b3132ab259
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2010-06-02 15:41:31 +00:00 |
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7a5cf1480a
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2010-05-21 20:05:47 +00:00 |
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33ff40dd7e
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2009-08-14 20:54:10 +00:00 |
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90dacbb8a5
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2009-04-03 19:46:03 +00:00 |
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e0665d834a
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2009-03-20 15:01:17 +00:00 |
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dc80368475
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Added check to prevent uphill moves in quadratic model, tweaked
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2692 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2009-03-19 22:17:39 +00:00 |
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f85c3c05b8
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Added check to prevent uphill moves in quadratic model
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2009-03-19 20:59:09 +00:00 |
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cb90e03944
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2009-03-05 20:49:19 +00:00 |
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6da13380d3
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2009-02-27 21:23:34 +00:00 |
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6fc365dbc5
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2009-02-25 23:58:04 +00:00 |
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0cc1d090f4
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2009-01-05 22:26:08 +00:00 |
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cb7168f9d3
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Change etol criterion to be strictly less than
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2255 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2008-11-25 03:33:32 +00:00 |
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0558f0c7f0
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2008-11-24 16:01:06 +00:00 |
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19e8e1f319
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2008-11-24 15:02:29 +00:00 |
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fb0c73f59d
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2008-11-21 22:59:10 +00:00 |
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2470451226
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2008-11-06 15:17:59 +00:00 |
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dc41c79c3c
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2008-05-15 22:42:47 +00:00 |
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2573af1531
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2008-04-17 00:06:14 +00:00 |
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8a08b7f3da
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2008-04-15 21:43:15 +00:00 |
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89bddb0624
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2008-04-14 22:13:25 +00:00 |
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b1181dd900
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2008-04-14 20:50:48 +00:00 |
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943216c548
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2008-04-10 20:53:37 +00:00 |
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b2b8adfae9
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2008-01-09 21:56:57 +00:00 |
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b2e9f7dc10
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2008-01-02 19:24:46 +00:00 |
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0bb3fd9b06
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2007-12-05 20:57:47 +00:00 |
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8fb52958ce
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2007-11-30 21:54:30 +00:00 |
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6de4e59a38
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2007-11-02 20:25:11 +00:00 |
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