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84657f1531
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final pass at sprintf() buffer overflow prevention. also fix typo in previous commit
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2018-09-06 12:00:04 -04:00 |
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9c27548a5c
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more replacing of sprintf() with snprintf()
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2018-09-06 10:45:48 -04:00 |
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b7210e931c
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more cosmetic changes to silence pedantic warnings
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2018-05-04 22:34:20 -04:00 |
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b61834f28d
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replace variable length array with fixed size
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2018-05-04 16:34:46 -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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59dbb49cf9
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remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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4002dce639
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restore explicit NAN constants in output
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2017-05-22 22:39:52 -04:00 |
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9008a31190
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more formatting cleanup
This cleans up and simplifies the neb command code some more
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2017-05-22 21:55:55 -04:00 |
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f73fd0625d
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rename nall class member to numall to avoid confusion with the common convention nall = atom->nlocal+atom->nghost
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2017-05-22 17:14:38 -04:00 |
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3fd91a239f
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avoid use '&&' and '||' instead of 'and' and 'or' for consistency
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2017-05-22 14:41:01 -04:00 |
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6ef79d3715
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silence several compiler warnings
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2017-05-19 15:13:19 -04:00 |
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c2bf3269ac
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formatting cleanup. combine 8 MPI_Allreduce() calls into 1
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2017-05-19 15:02:29 -04:00 |
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8daba01151
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some small formating change but does not work anymore
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2017-05-18 16:48:20 +02:00 |
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640edbc1d4
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added several features to the NEB
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2017-05-18 11:08:08 +02:00 |
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56b0856e2f
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15661 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-09-27 21:16:33 +00:00 |
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f280bd32a6
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15647 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-09-26 23:34:26 +00:00 |
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eb8fdc4ab6
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14831 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-04-15 16:08:22 +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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9a878cdd67
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14128 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-21 18:29:37 +00:00 |
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ce59e32d1c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13937 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-08-28 20:00:56 +00:00 |
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53d8975ee4
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12829 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-12-13 00:42:42 +00:00 |
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21ac09ad9c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12715 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-11-18 00:17:02 +00:00 |
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0916861315
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11777 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-04-11 14:46:49 +00:00 |
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1646c124b1
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11700 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-04-04 16:36:51 +00:00 |
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bad19033d0
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11250 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-17 18:43:09 +00:00 |
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28981227c4
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11077 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-11-27 00:29:19 +00:00 |
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9f945f1bb6
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11023 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-11-19 15:00:42 +00:00 |
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67719c2cf2
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2013-11-08 20:44:09 +00:00 |
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b0007d45b7
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10199 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-06-29 21:27:42 +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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173c6e393d
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2012-05-17 23:58:52 +00:00 |
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16a2afc642
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2011-12-08 17:56:37 +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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aedbb28b6c
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2011-06-30 20:10:18 +00:00 |
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7ce701da42
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6235 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-05-27 23:35:15 +00:00 |
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2b21f284c0
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2011-03-26 22:20:43 +00:00 |
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fbb475b9cd
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2011-03-25 21:13:51 +00:00 |
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05ebd9cf52
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2011-03-25 15:52:47 +00:00 |
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d51c47d9ab
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5705 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-02-22 22:09:18 +00:00 |
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d5b494397e
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5547 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-01-14 15:53:06 +00:00 |
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60b4b9eaa7
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5526 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-01-11 16:27:24 +00:00 |
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82ec94916d
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2011-01-11 00:41:00 +00:00 |
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c69f3aea57
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Added tad example
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5475 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-01-05 00:23:34 +00:00 |
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47392a29d1
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2010-11-24 16:24:37 +00:00 |
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86422df675
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Added potential gradient columns
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5117 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-10-23 00:05:44 +00:00 |
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a4ef8e330f
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2010-10-06 23:27:43 +00:00 |
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8bec336424
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4986 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-10-06 19:31:20 +00:00 |
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f4f63949b6
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2010-10-01 17:12:25 +00:00 |
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2c7f136bfc
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4918 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-09-30 23:01:09 +00:00 |
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f248ae9071
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4916 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-09-30 22:28:32 +00:00 |
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