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f9d1a914fb
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Update check-packages.py
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2020-08-03 13:49:37 -04:00 |
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4549493145
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Refactor check-packages.py
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2020-08-03 13:47:40 -04:00 |
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944ac44b44
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Update pair coul streitz
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2020-08-03 13:13:47 -04:00 |
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2ffb29f65e
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Merge remote-tracking branch 'origin/master' into refactor-reading
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2020-08-03 11:50:23 -04:00 |
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23a8b3438d
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Merge pull request #2267 from abhiShandy/force-tests
unit tests for beck, morse, few LJ derivatives, few buck/coul and born/coul
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2020-08-03 11:41:16 -04:00 |
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d09d40af9d
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make check for alternate linke more restrictive: also check for linker binary.
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2020-08-03 11:36:02 -04:00 |
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865e853a41
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Refactor check_tests.py
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2020-08-03 10:37:45 -04:00 |
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9bc1da64fb
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pair style gauss does not apply special_bonds
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2020-08-03 08:42:36 -04:00 |
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7e5e741ea1
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update code for ufm/gpu to match changes in base class where uf4 is removed
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2020-08-03 08:12:09 -04:00 |
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d271ee65e8
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Merge branch 'pair-tests-Aug3' of github.com:abhiShandy/lammps into pair-tests-Aug3
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2020-08-03 08:03:01 -04:00 |
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f3d7f0be2d
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update test reference data for pair style ufm
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2020-08-03 08:01:37 -04:00 |
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69688bbc1a
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must initialize scale array entries when using mixed parameters
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2020-08-03 08:01:13 -04:00 |
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c171b2ceda
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fix incomplete restart bug in pair style ufm
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2020-08-03 08:00:54 -04:00 |
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ad6b37d688
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bug in forcelj of gauss_omp
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2020-08-03 08:00:41 -04:00 |
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d241b17c8e
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remove unused setting and array
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2020-08-03 07:44:32 -04:00 |
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86c6efc04c
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sort list of missing styles alphabetically
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2020-08-03 07:30:15 -04:00 |
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bb183345bb
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remove obsolete function
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2020-08-03 07:29:53 -04:00 |
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10c0b8d90e
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passing test for soft
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2020-08-03 06:23:23 -04:00 |
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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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