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3a7a5d13ef
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apply clang-format
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2021-08-19 04:22:55 -04:00 |
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e149c2fe10
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function no longer needs to be public
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2021-08-19 04:20:12 -04:00 |
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5c46c6d3a6
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update unit test for per-atom arrays and vectors
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2021-08-18 22:51:09 -04:00 |
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c53875421b
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fix read_data bug
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2021-08-18 22:50:42 -04:00 |
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b942c4d122
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fix data corruption bug affecting write_data
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2021-08-18 22:31:46 -04:00 |
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04b0f98a5f
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fix logic bug in utils::expand_args()
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2021-08-18 20:26:51 -04:00 |
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d9f3745eff
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pretty
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2021-08-18 20:26:01 -04:00 |
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546c9a109e
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fix uninitialized data bug
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2021-08-18 20:25:49 -04:00 |
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5e6079c2fc
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Merge branch 'fix-property-array' of github.com:lammps/lammps into fix-property-array
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2021-08-18 16:54:02 -06:00 |
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b19a211d70
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update code
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2021-08-18 18:06:21 -04:00 |
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f6874af7e5
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pretty
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2021-08-18 18:05:36 -04:00 |
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104fa4624e
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correct utils::expand_args()
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2021-08-18 18:04:44 -04:00 |
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cf25a586bd
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debugging merged version
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2021-08-18 13:07:49 -06:00 |
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de61b3a547
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update utils::expand_args
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2021-08-18 14:35:27 -04:00 |
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0a99d338f2
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update argument parsing
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2021-08-18 14:35:02 -04:00 |
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1e37d1ad7f
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pretty
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2021-08-18 14:34:03 -04:00 |
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355dd5db9b
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include 2 use cases in doc page
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2021-08-18 11:55:47 -06:00 |
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e08c4abb4b
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whitespace fixes
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2021-08-18 13:06:00 -04:00 |
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4fed16fe8b
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pretty
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2021-08-18 13:00:40 -04:00 |
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f9b32f0eef
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use ArgInfo class to process references to custom vectors and arrays
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2021-08-18 13:00:32 -04:00 |
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300fee0437
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add some more checks for typical string matches for references to fixes and alike
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2021-08-18 12:59:56 -04:00 |
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c50abed92b
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recover compilation
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2021-08-18 12:59:31 -04:00 |
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c6819e30cf
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simplify
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2021-08-18 12:58:39 -04:00 |
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c57da0661d
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update package name
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2021-08-18 12:49:16 -04:00 |
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ee5273fbb1
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Merge pull request #2879 from akohlmey/interlayer-refactor
Unit tests, bugfixes and file reader refactor for some INTERLAYER pair styles
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2021-08-18 04:54:13 -04:00 |
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a1dd2c7655
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move inline functions from header to cpp file
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2021-08-17 22:37:47 -04:00 |
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f470964393
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apply clang-format
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2021-08-17 22:35:05 -04:00 |
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96b563dffc
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move common taper functions for interlayer potentials to separate header
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2021-08-17 22:34:32 -04:00 |
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bbb8adf656
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update kolmogorov/crespi/z and lebedeva/z pair styles to use new file reader and unit conversion
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2021-08-17 21:56:17 -04:00 |
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661ec1acc3
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fix typo
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2021-08-17 21:55:22 -04:00 |
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bb3c4797b3
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update some more interlayer potential files
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2021-08-17 21:55:12 -04:00 |
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c758d224e0
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Merge pull request #2881 from stanmoore1/kk_cmake
Fix issue when building Kokkos with CMake
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2021-08-17 21:12:18 -04:00 |
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62564b0a5c
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cmake: only use LMP_KOKKOS define in build interface
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2021-08-17 15:52:09 -06:00 |
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58a86412ec
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recover compilation
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2021-08-17 16:26:59 -04:00 |
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6dafbd2fbe
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support metal2real unit conversion
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2021-08-17 16:20:00 -04:00 |
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0906e94207
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small fixes
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2021-08-17 16:13:01 -04:00 |
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e5a194d8d4
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sync Kokkos changes with current master
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2021-08-17 14:12:47 -06:00 |
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2bf9fa91db
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more changes to merge with current master
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2021-08-17 14:03:58 -06:00 |
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05bd545cd3
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flush tiny stresses to zero to avoid false positives when testing
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2021-08-17 15:10:46 -04:00 |
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4f9941e18d
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support metal2real unit conversion in pair style drip
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2021-08-17 15:05:23 -04:00 |
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6d53cd1986
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refactor potential file reader in pair style drip
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2021-08-17 14:50:34 -04:00 |
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96280dc185
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Merge branch 'master' into fix-property-array
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2021-08-17 12:19:27 -06:00 |
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8b8cce4399
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add unit test YAML file for DRIP pair style
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2021-08-17 14:12:50 -04:00 |
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e6af1eecb8
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resolved merge conflicts with master
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2021-08-17 11:55:33 -06:00 |
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82871ca515
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Merge branch 'master' into interlayer-refactor
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2021-08-17 13:25:13 -04:00 |
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527240e941
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Merge pull request #2880 from akohlmey/arginfo_update
Collected bugfixes and small update for ArgInfo class
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2021-08-17 13:24:02 -04:00 |
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d321202908
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Add change from @junghans
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2021-08-17 10:27:50 -06:00 |
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9fa255b3ff
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Fix issue when building Kokkos with CMake
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2021-08-17 10:09:39 -06:00 |
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18cc43a560
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extend ArgInfo class to also accept "i2_name" and "d2_name"
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2021-08-17 12:04:58 -04:00 |
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95a2041df3
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reformat potential file headers to comply with LAMMPS' conventions
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2021-08-17 10:48:51 -04:00 |
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