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73c7ed1e9c
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start test for atom style charge
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2020-06-17 01:42:41 -04:00 |
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e88bb9dd59
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call MPI_Finalize() so we don't have spurious memory leaks from MPI reported by valgrind
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2020-06-17 01:42:17 -04:00 |
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39b61fbdbe
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add exit() to one() functions since compilers may not recognize that MPI_Abort() does not return.
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2020-06-17 01:30:41 -04:00 |
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61ace42e72
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check status of all per-atom fields
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2020-06-17 01:25:56 -04:00 |
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d990c1e7c0
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simplify through using {fmt}
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2020-06-17 01:25:22 -04:00 |
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32c1dcf44f
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improve match for "id" first checks
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2020-06-17 01:25:06 -04:00 |
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db469b5cfd
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plug memory leak in AtomVec classes
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2020-06-17 01:24:36 -04:00 |
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49af2c25ec
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add tester for atom styles
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2020-06-17 00:11:18 -04:00 |
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1883788725
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update SNAP package inputs and reference logs to give consistent results in serial and parallel
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2020-06-16 20:59:58 -04:00 |
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47b589bdc6
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add [[ noreturn ]] attributes to functions in the Error class that do not return
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2020-06-16 18:30:04 -04:00 |
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d8fbb5a16b
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Merge branch 'commands-tests' into collected-small-changes
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2020-06-16 16:39:33 -04:00 |
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73a7fb53ff
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add infrastructure and first example for testing standalone LAMMPS input commands
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2020-06-16 12:52:35 -04:00 |
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093c285475
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use GMock initializer instead of GTest
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2020-06-16 06:37:35 -04:00 |
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436c7615e0
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set metal units and add option to do verbose execution to EIM potential tester
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2020-06-16 06:37:09 -04:00 |
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37a0999826
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add units metadata check to legacy potential file reading method
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2020-06-16 06:36:26 -04:00 |
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b5a809413e
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set units for potential file reader tests. allow verbose execution.
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2020-06-16 06:19:31 -04:00 |
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7a00ec90e5
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Merge pull request #2134 from akohlmey/next_lammps_version
Update version strings for next patch release
patch_15Jun2020
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2020-06-15 18:20:17 -04:00 |
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a598a66eda
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Merge pull request #2157 from akohlmey/use-clang-format-demo
Demonstrate use of clang-format in LAMMPS
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2020-06-15 17:55:42 -04:00 |
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30100d33c6
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get rid of tabs and trailing whitespace
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2020-06-15 17:37:45 -04:00 |
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3abbf57146
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remove executable permissions on files that should not have them
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2020-06-15 17:34:21 -04:00 |
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fd8cfed86d
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fix typo
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2020-06-15 17:33:50 -04:00 |
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05319cae66
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updates for using {fmt} and reordering of include statements exposing hidden includes
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2020-06-15 16:55:38 -04:00 |
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05d1924d62
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update for using {fmt}
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2020-06-15 16:48:20 -04:00 |
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14c22a004a
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Merge branch 'master' into use-clang-format-demo
# Conflicts:
# unittest/force-styles/pair_style.cpp
# unittest/utils/test_utils.cpp
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2020-06-15 16:14:13 -04:00 |
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4a3d9afb54
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Merge pull request #2154 from rbberger/coding_standard
Add utilities for checking code
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2020-06-15 15:32:35 -04:00 |
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65ff6bb617
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Require clang-format >= 8.0
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2020-06-15 14:59:43 -04:00 |
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c987dfb2c9
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Merge pull request #2156 from akohlmey/collected-small-changes
Collected changes for the next patch release
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2020-06-15 14:40:27 -04:00 |
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e083416dd8
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Merge pull request #2159 from akohlmey/potential-unit-tag
Add a units consistency check by adding a UNITS: tag to potential files.
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2020-06-15 13:55:20 -04:00 |
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0ca7270668
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re-enable USER-MESONT package for MinGW cross compilation
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2020-06-15 13:47:16 -04:00 |
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0199e369fa
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work around race condition and minimizing download attemps for transparently downloaded potential files
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2020-06-15 13:46:54 -04:00 |
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868e5450db
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Merge branch 'patch-1' of github.com:cjknight/lammps into collected-small-changes
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2020-06-15 12:13:25 -04:00 |
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9aee8d41bd
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Merge branch 'master' into collected-small-changes
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2020-06-15 12:12:45 -04:00 |
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71c075e0e4
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Update atom_vec_sph.cpp
Looks like one 'de' wasn't renamed to 'desph' in recent commit.
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2020-06-15 10:55:18 -05:00 |
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70e809895f
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Merge pull request #1873 from iafoss/feature-cnt
Tubular potential force field package for carbon nanotubes
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2020-06-15 11:41:56 -04:00 |
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419ebd74fe
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Merge pull request #2155 from akohlmey/gmake-makefile-improvements
Portability improvement for src/Makefile
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2020-06-15 11:35:11 -04:00 |
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e840fa23f1
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Add format-tests target
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2020-06-15 11:21:43 -04:00 |
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57eab1f785
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USER-MESONT fails to download with Win64 for some strange reason. disabling from mingw preset for now
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2020-06-15 11:12:55 -04:00 |
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b5ee87697a
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workaround for GNU Fortran 10 and later when compiling downloaded ScaFaCoS lib
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2020-06-15 10:59:32 -04:00 |
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12b379df36
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improve MEAM file detection in pair_coeff command, get rid of ERRFMT()
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2020-06-15 08:18:11 -04:00 |
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a7e2cc3320
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initialize _need_tag differently.
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2020-06-14 23:14:22 -04:00 |
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59dcf2d7f9
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make sure _need_tag in intel buffers is always initialized for all precision settings
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2020-06-14 21:40:29 -04:00 |
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b067880803
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update code owners
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2020-06-14 20:11:31 -04:00 |
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753e2b00cf
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potential file metadata may only be in the first line of a file.
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2020-06-14 19:59:17 -04:00 |
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b3a99f3165
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add and document new "download" preset
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2020-06-14 19:50:14 -04:00 |
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149571873f
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avoid illegal read after delete
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2020-06-14 19:35:09 -04:00 |
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2f5587da53
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use std::string.empty() instead of comparing to ""
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2020-06-14 17:25:20 -04:00 |
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2a25fe16e7
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fix delete[] vs. free() issue with pair styles eam/fs, eam/alloy, eim
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2020-06-14 17:23:42 -04:00 |
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7d9e0076c7
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update some test yaml files
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2020-06-14 17:01:28 -04:00 |
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8736565977
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document the use and generation of "DATE:" and "UNITS:" tags
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2020-06-14 14:41:04 -04:00 |
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5abfcde3f7
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make subheaders and typesetting more consistent
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2020-06-14 12:41:19 -04:00 |
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