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5a2704efc2
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ensure that local per-thread storage is completely cleared in hybrid styles.
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2020-06-24 17:24:47 -04:00 |
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3e39b8c62d
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make sure class pointers are initialized to NULL and virial accumulator.
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2020-06-24 17:23:20 -04:00 |
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e47090d931
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add suport for centroid virial to hybrid angle/dihedral/improper styles
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2019-10-11 18:10:06 +09:00 |
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cad6293078
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use new utils::sfread() utility function in several classes
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2019-10-17 11:29:08 -04:00 |
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9477df4244
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Merge branch 'master' into improve-include-consistency
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2019-07-26 17:24:32 -04:00 |
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f86d2c9934
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read/write settings in restart files for bonded hybrid styles
this allows to properly restart table styles, which require
additional settings unlike all other bonded styles.
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2019-07-25 07:55:39 -04:00 |
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7967cb1133
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put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
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2019-07-03 06:16:16 -04:00 |
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932f052cbf
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more header cleanup
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2019-06-27 20:52:23 -04:00 |
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48220b39b5
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include <cstdio> explicitly in .cpp files, though
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2019-06-27 11:48:34 -04:00 |
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84e156d380
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first batch of changes suggested by using include-what-you-use tool
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2019-06-27 09:14:36 -04:00 |
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6e6f903818
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use ev_init for angles
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2019-03-13 17:51:41 +01:00 |
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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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f8506fee23
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sync GHub with SVN
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2017-01-26 14:06:43 -07:00 |
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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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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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18a1c57b56
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12315 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-14 19:25:12 +00:00 |
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0f6eb0877e
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12310 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-14 16:30:03 +00:00 |
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fe1ade5fad
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-07-30 14:59:20 +00:00 |
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b6df7c873b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9764 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-04-08 23:38:00 +00:00 |
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45ea5f9795
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9722 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-04-01 16:00:16 +00:00 |
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1a55f94e8a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@64 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2006-10-03 17:52:58 +00:00 |
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222c95507e
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@26 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2006-09-27 19:51:33 +00:00 |
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