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3ca93f10b3
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don't run atof() on a NULL pointer in case a potential file has an empty line
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2020-03-04 14:00:52 -05:00 |
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dd60bddc33
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reset embedding step counter when init_style() is called
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2020-01-16 17:14:23 -05:00 |
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93a6d3a1fc
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print warning (once) if EAM embedding data is out of sync, error out, if embedding term is not available at all.
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2020-01-16 16:35:05 -05:00 |
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4889488412
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rename count_embed to numforce and move the location where numforce is set to 0
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2019-11-15 19:49:30 -05:00 |
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e0646b73e3
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revised implementation of inclusion of embedding energy in PairEAM::single()
this variant is also ported to USER-OMP and OPT
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2019-11-13 01:46:00 -05:00 |
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f1e4f98364
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include embedding energy term in PairEAM::single()
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2019-11-13 01:04:39 -05:00 |
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fd9da6f934
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make use of utils::sfgets() in a few more places
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2019-10-19 13:26:55 -04:00 |
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35e2401099
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clean up includes in MANYBODY package
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2019-07-07 03:56:44 -04:00 |
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416911aa7e
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more rearranging of include file order to put implementation headers first
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2019-07-03 21:57:39 -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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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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71bc72ec13
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formatting: add additional space to avoid bad syntax highlights
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2018-08-27 22:13:43 -04:00 |
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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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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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992ce79701
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add sanity checks to EAM potential file reader subroutine
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2017-07-16 14:37:30 -04:00 |
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5a23d2d1da
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fix bug in computing mixed EAM potentials introduced by TI modifications
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2017-05-26 20:28:45 -04:00 |
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f9a9e27f5a
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add error location propagation to atom->set_mass() and atom->check_mass()
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2016-10-26 16:01:40 -04:00 |
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35753b8f08
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add error location propagation to force->bounds() and force->boundsbig()
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2016-10-26 15:53:02 -04:00 |
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f718c54430
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sync with GH
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15634 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-09-23 21:04:56 +00:00 |
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f1d3637b03
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15605 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-09-20 16:26:57 +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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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14164 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-22 22:06:49 +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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884e76555b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13263 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-03-18 23:45:11 +00:00 |
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acfc16d41a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13262 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-03-18 23:44:20 +00:00 |
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1f77a147c3
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13055 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-02-04 22:06:13 +00:00 |
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4a975dd8cf
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12957 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-01-19 23:49:20 +00:00 |
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2cca373515
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12253 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-06 16:07:54 +00:00 |
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1fac1d41fa
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11789 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-04-15 15:24:27 +00:00 |
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0916861315
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2014-04-11 14:46:49 +00:00 |
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0de9e4252b
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2014-04-04 16:40:17 +00:00 |
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737e5e6c3d
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2013-06-28 16:55:37 +00:00 |
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b92fa00337
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2013-06-27 20:15:36 +00:00 |
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356d67afc8
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2012-09-18 23:36:03 +00:00 |
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ef9e700545
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2012-06-06 22:47:51 +00:00 |
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895680bd32
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2011-10-25 15:30:34 +00:00 |
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19e8c92a90
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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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147842df01
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2011-06-07 18:06:14 +00:00 |
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d9824c7583
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2011-06-07 15:25:20 +00:00 |
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eb7d288360
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2011-04-05 19:10:43 +00:00 |
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1f2a7add78
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2011-03-26 00:50:29 +00:00 |
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fbb475b9cd
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2011-03-25 21:13:51 +00:00 |
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50b8413fe7
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2011-03-25 19:40:12 +00:00 |
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9d9620c06a
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2010-08-28 00:01:44 +00:00 |
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690d8c0561
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2010-08-21 21:17:09 +00:00 |
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d71b088457
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2010-06-28 22:06:53 +00:00 |
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3f3f82d909
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2009-11-10 18:24:01 +00:00 |
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fb2e9e1f6f
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2009-06-05 19:14:05 +00:00 |
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86b3f60494
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2711 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2009-04-01 22:23:28 +00:00 |
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