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80ceff55d5
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failing test for UFM, with cosmetic change in its CPP, and doc correction
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2020-08-03 06:01:59 -04:00 |
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8eb84229bd
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passing tests for born-coul, gauss and yukawa
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2020-08-03 05:59:44 -04:00 |
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90028a3c71
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properly handle hybrid styles when checking for missing tests
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2020-08-03 00:43:41 -04:00 |
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896a08883b
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add a custom python script to check the completeness of tests inputs
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2020-08-03 00:12:51 -04:00 |
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bbb4c39692
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Merge branch 'wip-tests' into force-tests
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2020-08-01 14:53:10 -04:00 |
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eb91c6feb6
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correct data file output format for ZBL style. update reference output.
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2020-08-01 14:43:14 -04:00 |
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cc87557fa7
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tweak parameters for lj/expand to stabilize test run
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2020-08-01 14:24:50 -04:00 |
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6827eb80a8
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fix missing initialization bug in lj/cut/coul/wolf and update reference data
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2020-08-01 14:18:40 -04:00 |
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a4db52c30f
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tweak potential parameters for better stability of test run
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2020-08-01 14:05:27 -04:00 |
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4c3dc9566c
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need to explicitly clamp the forces and energy in single function to zero at (implicit) pairwise cutoff
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2020-08-01 14:05:04 -04:00 |
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891be9313a
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fix parameters initialization bug in pair style lj/cubic
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2020-08-01 13:37:07 -04:00 |
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7158f47157
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bugfix for pair style buck/coul/cut
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2020-08-01 11:15:07 -04:00 |
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34279840fc
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unit tests for few buck/coul and born/coul; remove mixing from buck
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2020-08-01 08:52:07 -04:00 |
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d15db7b5a7
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fix the atomic numbers in ZBL test
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2020-08-01 07:49:06 -04:00 |
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86c53cb211
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unit tests for few LJ derivatives and ZBL
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2020-08-01 07:39:33 -04:00 |
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2a487f5f47
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unit tests for beck, morse, and few LJ derivatives
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2020-08-01 07:27:39 -04:00 |
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729cc81f31
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make more use of utils::logmesg()
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2020-07-31 22:16:06 -04:00 |
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74f50ed1bd
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Merge branch 'master' into collected-small-changes
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2020-07-31 21:51:10 -04:00 |
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75dcd9ae29
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Merge pull request #2266 from Vsevak/fix_opencl
Fix handling of CL_DEVICE_TYPE flags
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2020-07-31 21:50:33 -04:00 |
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59b5c7c154
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Merge pull request #2264 from akohlmey/fix_ttm_parser_update
Refactor parsing of input files in fix ttm and fix ttm/mod
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2020-07-31 18:14:54 -04:00 |
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b6b5d369b4
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Merge pull request #2265 from abhiShandy/easy-pairs
Unit tests for born, buck, lj96 and mie cut
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2020-07-31 15:45:14 -04:00 |
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db47eeb2a9
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Fix handling of CL_DEVICE_TYPE flags
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2020-07-31 19:21:32 +03:00 |
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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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