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1962bc00eb
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revert changes that would undo parts of PR #1731
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2019-10-28 15:41:02 -04:00 |
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a0d74ca2ae
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Bug fix for gay-berne potential when mu != 1.0.
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2019-10-27 22:31:00 -07:00 |
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fe20490891
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more use of utils::sfread()
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2019-10-17 17:06:12 -04:00 |
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06dcc9e283
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Merge branch 'master' into improve-include-consistency
# Conflicts:
# src/USER-MESO/atom_vec_tdpd.cpp
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2019-07-09 14:50:00 -04:00 |
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03418be645
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minor tweaks to already processed files
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2019-07-08 16:22:55 -04:00 |
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5d4016c285
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cleaning up includes of ASPHERE package
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2019-07-05 14:42:46 -04:00 |
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5b3a15bd94
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putting implementation header first in package folder sources
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2019-07-03 19:58:25 -04:00 |
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7547e1dae6
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make certain that the vector storage and the size_vector variable are consistent in computes
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2019-07-01 17:25:02 -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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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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59dbb49cf9
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remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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4ec07422f0
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avoid division by zero when using cutoff 0.0 with pair_modify shift yes
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2017-07-14 23:33:00 -04:00 |
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cb3344a337
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Merge pull request #489 from akohlmey/thread-safe-biasing
port thread-safe temperature biasing from LAMMPS-ICMS
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2017-05-18 09:15:07 -06:00 |
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d2810f9f83
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port thread-safe temperature biasing from LAMMPS-ICMS
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2017-05-16 18:15:13 -04:00 |
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51fc386e72
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correct the inner loop range for resetting cutoffs when redefining a pair style
this was reported by frank uhlig on lammps-users for lj/cut, but it applies to many more pair styles
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2017-05-16 00:26:18 -04:00 |
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62b9fa22b8
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when computing only rotational temperature, we must not subtract the default n-dim extra DOFs
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2017-04-07 15:11:26 -04:00 |
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e261bef7bb
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Spelling fixes in source files
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2017-03-05 18:30:39 -05:00 |
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cd65d44d95
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Initialize pointers in ASPHERE
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2016-11-07 16:15:39 +01:00 |
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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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9b2d5ff3e7
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remove executable permissions on non-executables and non-scripts
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2016-09-08 14:45:07 -04:00 |
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3497d6382c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15151 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-06-07 18:26:15 +00:00 |
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0f3e4182e8
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-06-06 23:21:39 +00:00 |
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8e36364f5c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14805 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-04-07 21:04:44 +00:00 |
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70aa37e4c8
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-02-15 15:26:57 +00:00 |
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9e20448834
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2016-02-08 16:18:20 +00:00 |
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09fb68df71
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14440 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-01-14 22:33:46 +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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dc53071b60
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2015-04-01 14:41:46 +00:00 |
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536ae8000d
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2015-03-31 22:02:12 +00:00 |
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87d5920431
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2015-03-31 19:02:42 +00:00 |
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bd37304ade
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2015-03-30 23:17:06 +00:00 |
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94cd2118c7
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2015-01-27 23:55:36 +00:00 |
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4a975dd8cf
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2015-01-19 23:49:20 +00:00 |
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b7ece0fb51
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2014-11-17 18:11:29 +00:00 |
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7518fae9bc
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2014-10-21 17:09:24 +00:00 |
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cf0cd2e912
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2014-05-07 20:54:35 +00:00 |
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53db68362e
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2014-05-07 14:30:27 +00:00 |
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54633e6252
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2014-05-02 15:06:18 +00:00 |
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f461504c93
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2014-04-18 15:25:28 +00:00 |
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d00fe7ee1d
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1fac1d41fa
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2014-04-15 15:24:27 +00:00 |
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2014-04-11 14:46:49 +00:00 |
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2013-11-22 17:57:21 +00:00 |
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2013-11-22 17:14:39 +00:00 |
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2013-07-30 20:40:02 +00:00 |
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