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9d74984144
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Fix whitespace
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2020-06-16 07:20:09 -04:00 |
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ca1e1e2dff
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Convert British spelling to American
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2020-03-18 23:09:23 +09:00 |
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d3cbccff35
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whitespace cleanup
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2019-05-29 14:42:18 -04:00 |
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29d36ffec0
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error out when not using metal units with QUIP
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2019-05-29 14:40:09 -04:00 |
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c0cfceb95c
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fix off-by-one errors
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2019-05-29 14:03:00 -04:00 |
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12fcf5f5ef
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properly set up pair style quip for hybrid and hybrid/overlay
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2019-05-29 14:00:33 -04:00 |
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cb8d89855d
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remove limitation to hybrid/overlay
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2019-05-29 13:59:51 -04:00 |
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c8d50c04a4
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avoid memory leak and initialize class member pointers
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2019-05-29 10:12:24 -04:00 |
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06a57dd659
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use ev_unset for all pair styles
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2019-03-13 17:49:16 +01:00 |
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1991ff6c48
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consistent formatting: replace "if( XXX)" with "if (XXX)"
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2018-12-29 17:08:12 -05:00 |
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f25bfd5931
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consistent formatting: replace "if( XXX )" with "if (XXX)"
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2018-12-29 17:04:28 -05:00 |
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92a4dc25b1
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Fix unused params in packages (#1076)
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2018-08-24 10:42:08 -06:00 |
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6056c1db4d
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fix restart bug in pair style quip
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2018-05-31 18:54:38 -04:00 |
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a7a83b118d
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update dependencies for USER-CGSDK package. make script permissions consistent
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2018-05-09 16:13:54 -04:00 |
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ecfe5c8373
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use american spelling of neighbor consistently in docs and code comments
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2018-05-07 07:23:29 -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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52a1c54d50
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support QUIP wrapper API version query, relax hybrid restriction to allow hybrid/overlay, update docs
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2017-07-19 13:17:35 -04:00 |
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17aff29fe2
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fix off-by-one bug when copying strings
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2017-07-18 15:48:31 -04:00 |
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f96b9e0dcf
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add various checks and improvements to identify incompatible uses and warn or exit with error message
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2017-07-18 15:48:18 -04:00 |
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02572a4099
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add workaround that allows pair style quip to work with -DLAMMPS_BIGBIG, assuming tags are still only 32-bit signed integer
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2017-07-18 14:41:38 -04:00 |
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085cbee116
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protect LAMMPS from calling incompatible QUIP library with -DLAMMPS_BIGBIG
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2017-07-18 11:17:25 -04:00 |
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bda0730169
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Modified the quip/lammps interface to pass lammps atom ids
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2017-07-17 16:55:05 +01:00 |
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ffa906de6f
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add C++ format identifiers to .h files
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2017-06-20 16:18:34 -04:00 |
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d6357420ae
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propagate global package installation bugfix to explicit package scripts
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2017-04-07 15:29:56 -04:00 |
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236241b100
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sync with Git
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15518 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-27 23:09:15 +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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36383c1449
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13162 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-02-24 23:46:13 +00:00 |
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62bdf7c6fb
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Added README
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13161 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-02-24 18:48:50 +00:00 |
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512c305722
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Added README
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13160 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-02-24 18:45:52 +00:00 |
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0c86d87c8b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13153 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-02-24 16:33:53 +00:00 |
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3d20bb9bd6
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13152 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-02-24 16:31:10 +00:00 |
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