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067540fef1
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diversify exponents in mie/cut test
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2020-07-31 12:11:24 -04:00 |
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1017b76c71
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reformat pair_coeff section in buck test for better readability
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2020-07-31 12:08:00 -04:00 |
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12924346ac
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unit tests for born, buck, lj96 and mie cut
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2020-07-31 11:46:51 -04:00 |
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1f1263645e
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Document warning about short communication cutoff vs. bond length based estimate
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2020-07-31 11:03:26 -04:00 |
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adde2439a6
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Merge pull request #2263 from junghans/gitattributes
Add .gitattributes
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2020-07-31 00:18:02 -04:00 |
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8cb63194aa
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optimize utils::strmatch() by using const string reference
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2020-07-30 23:42:03 -04:00 |
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814e2e9aaf
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turn off optimization for Clang compilers when compiling atom style tester
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2020-07-30 23:41:24 -04:00 |
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1cf7a12a5f
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trim whitespace before parsing numbers
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2020-07-30 23:40:34 -04:00 |
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c3db11a807
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fix argument index bug carried over from syncing with fix ttm
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2020-07-30 23:40:09 -04:00 |
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4b91ab0d23
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add utils::trim() function to remove leading and trailing whitespace from string
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2020-07-30 23:39:37 -04:00 |
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3370d2f8de
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Add .gitattributes
This will help to strip out some developer-only files from the
GitHub generated tarballs.
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2020-07-30 10:51:21 -06:00 |
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45af603c04
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Make patch informational too
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2020-07-30 12:26:55 -04:00 |
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09e0ad19f5
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Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes
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2020-07-30 12:21:46 -04:00 |
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763fa426cf
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Enable patch status
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2020-07-30 12:21:40 -04:00 |
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6812649a65
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Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes
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2020-07-30 12:08:43 -04:00 |
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1ae785132c
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Add codecov.yml
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2020-07-30 12:08:15 -04:00 |
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f0e6651780
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Merge branch 'first-test' of github.com:abhiShandy/lammps into collected-small-changes
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2020-07-30 11:46:06 -04:00 |
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facb2f3c27
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fix error in determining A/B parameters. outputs now match lj/mdf as expected.
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2020-07-30 11:44:37 -04:00 |
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4a28a708b9
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T_initial_set array is only required during reading of the mesh
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2020-07-30 10:36:03 -04:00 |
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36f4e6789a
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simple test for pair-born
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2020-07-30 03:30:57 -04:00 |
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6a90a2affe
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consistently check for presence of all input mesh data
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2020-07-29 23:43:45 -04:00 |
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7d46aa6185
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Merge pull request #2256 from akohlmey/cmake-use-alternate-linker
Use alternate/faster linker if available
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2020-07-29 21:40:17 -04:00 |
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2c3f9b111a
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whitespace cleanup: replace tabs and remove trailing blanks
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2020-07-29 21:36:24 -04:00 |
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8c30b320fd
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Merge branch 'master' into collected-small-changes
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2020-07-29 21:32:16 -04:00 |
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c355348ff9
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remove local copy of "me"
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2020-07-29 21:31:51 -04:00 |
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df3d04662d
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Merge pull request #2259 from lammps/rcb-tiled-tri
enable comm_style tiled and load-balancing to work for triclinic boxes
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2020-07-29 21:23:20 -04:00 |
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dd001e80d2
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Merge branch 'master' into rcb-tiled-tri
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2020-07-29 20:37:28 -04:00 |
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b00bfc82c8
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Merge pull request #1426 from Adrian-Diaz/comm_tiled_sendself_fix
Add bugfix for comm_tiled_sendself
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2020-07-29 20:35:33 -04:00 |
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b402b00882
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Merge branch 'master' into comm_tiled_sendself_fix
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2020-07-29 18:23:51 -04:00 |
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2fa642d95e
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document custom linker choice
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2020-07-29 18:01:17 -04:00 |
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d0b6ce8284
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displace target link options (if supported by CMake version)
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2020-07-29 17:46:24 -04:00 |
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1f1767f5af
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convert linker choice to (advanced) choice. only for Clang and GNU at the moment
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2020-07-29 17:36:34 -04:00 |
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2923dcbbd6
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Merge pull request #2258 from akohlmey/phana-update
Update phana tool for USER-PHONON from GitHub repo
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2020-07-29 16:52:47 -04:00 |
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8c849c0104
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add test file for pair style lennard/mdf
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2020-07-29 16:41:11 -04:00 |
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6707e64d14
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change class name and add write_data support with pair style lennard/mdf
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2020-07-29 16:39:44 -04:00 |
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d3b5e50da3
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fix bugs in lennard/mdf pair style
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2020-07-29 16:39:07 -04:00 |
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59ff6b7abc
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Add comment explaining the change
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2020-07-29 16:33:54 -04:00 |
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cb98fa00da
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enable CommStyle tiled and load-balancing to work for triclinic
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2020-07-29 14:30:49 -06:00 |
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4d9781f9b6
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fix typo an reorder
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2020-07-29 11:10:14 -04:00 |
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7df8a63045
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update phana tool for USER-PHONON from github
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2020-07-29 10:48:04 -04:00 |
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1677b76b6c
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try using faster alternatives to GNU ld when building (many) test executables
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2020-07-28 20:56:32 -04:00 |
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cc0cf3b94f
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consolidate USER-REAXC init error message handling. avoid snprintf and buffer
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2020-07-28 20:40:57 -04:00 |
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29c50671da
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Merge pull request #2254 from Vsevak/fix_opencl
Fix corrupted character in GPU package
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2020-07-27 20:08:18 -04:00 |
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ae329acd3b
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Merge pull request #2255 from akohlmey/charset-cleanup
Charset cleanup in (most) source files
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2020-07-27 19:41:36 -04:00 |
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9db34bc18e
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cosmetic changes to CommTiled for comm multi style
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2020-07-27 16:15:41 -06:00 |
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477b97f257
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remove some more extended ASCII characters
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2020-07-27 17:33:35 -04:00 |
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2bb5c53a47
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remove/replace extended ASCII characters from comments
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2020-07-27 17:15:29 -04:00 |
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634f274a04
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whitespace cleanup: replace tabs and remove trailing whitespace
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2020-07-27 17:14:53 -04:00 |
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41535d8de3
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Merge pull request #2253 from stanmoore1/kk_snap_bug
Fix issue in pair_snap_kokkos
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2020-07-27 14:09:43 -04:00 |
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93f14e9bba
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Fix broken ASCII symbol in GPU package
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2020-07-27 20:16:55 +03:00 |
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