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162868f13c
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Readded r=0 check
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2021-07-30 10:01:20 -06:00 |
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5f401da462
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correct bug in derived CG-DNA FENE bond classes and optimize code
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2021-07-30 10:48:15 -04:00 |
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9dc662973e
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step version strings for next patch release
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2021-07-29 21:18:03 -04:00 |
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cb32bb972b
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fix bugs in ArgInfo class
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2021-07-29 20:57:42 -04:00 |
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4710b7bc9e
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modernize and simplify code to find best matching restart file
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2021-07-29 17:25:42 -04:00 |
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ca2abd22be
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remove unused file
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2021-07-29 17:08:16 -04:00 |
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a80829bd79
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avoid compilation error
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2021-07-29 16:14:52 -04:00 |
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a6d66c3518
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update .gitignore
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2021-07-29 16:07:23 -04:00 |
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33905fd689
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fix one more KOKKOS package installation dependency
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2021-07-29 16:07:14 -04:00 |
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c49a533ad9
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reformat, simplify, add reference log files
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2021-07-29 15:40:43 -04:00 |
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b108da3e5c
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simplify format handling
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2021-07-29 15:26:29 -04:00 |
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dcff3d70e0
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simplify fix instance creation
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2021-07-29 15:18:58 -04:00 |
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520109bda0
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simplify
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2021-07-29 14:55:22 -04:00 |
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ebe5e6c024
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reformat
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2021-07-29 14:44:15 -04:00 |
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5b6b6b8767
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simplify and use utils functions
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2021-07-29 14:33:41 -04:00 |
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b5830b672a
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simplify logging code
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2021-07-29 14:18:38 -04:00 |
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9cf790a2fe
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simplify and use fmtlib
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2021-07-29 14:09:49 -04:00 |
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b4e3795913
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fix copy-n-paste error
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2021-07-29 13:58:27 -04:00 |
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2a1177fa92
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reformat with clang-format
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2021-07-29 13:29:56 -04:00 |
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508798ab2b
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simplify code, make use of fmtlib and utils
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2021-07-29 13:25:06 -04:00 |
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a9271b6d9a
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replace temporary char buffer with using fmtlib
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2021-07-29 12:36:50 -04:00 |
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211d6636b4
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modernize and simplify code to find best matching restart file
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2021-07-29 12:09:55 -04:00 |
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5f2b947b99
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fix typo
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2021-07-29 11:48:24 -04:00 |
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1e48be92aa
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avoid segfault
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2021-07-28 21:50:20 -04:00 |
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bf6c982b49
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skip using neighbor list load balancing weight when using KOKKOS with GPU
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2021-07-28 21:30:06 -04:00 |
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6d75912f7a
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Switched to local array
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2021-07-28 18:34:08 -06:00 |
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b8d3297659
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add missing package dependency
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2021-07-28 18:45:09 -04:00 |
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d33863839e
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update pair style installation dependencies
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2021-07-28 18:37:59 -04:00 |
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294ac76f41
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forgot to move pair style beck to EXTRA-PAIR
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2021-07-28 18:33:33 -04:00 |
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6fcfbb7793
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add missing dependency for conventional build
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2021-07-28 18:18:54 -04:00 |
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3a5d3fc541
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fix compilation
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2021-07-28 18:11:59 -04:00 |
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218467b385
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use fabs() instead of abs() on floating point number
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2021-07-28 16:17:12 -04:00 |
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9a4bc8eda1
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apply citation reminder
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2021-07-28 16:16:54 -04:00 |
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f46e1c98f7
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removed dead code and make consistent with non-OPENMP version
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2021-07-28 16:16:42 -04:00 |
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32be894ae2
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silence compiler warnings
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2021-07-28 16:16:22 -04:00 |
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b59f23068f
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Merge pull request #2851 from akohlmey/next_patch_release
Step version number strings for the next patch release
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2021-07-28 15:26:03 -04:00 |
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ed34856961
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Merge pull request #2854 from akohlmey/final-fixes-for-patch-release
Final fixes for the patch release
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2021-07-27 20:31:52 -04:00 |
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bb5da016d4
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add dependencies for KOKKOS style to the conventional build
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2021-07-27 18:21:45 -04:00 |
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fe34fe26b2
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add a hard dependency on EXTRA-PAIR to the DIELECTRIC package
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2021-07-27 18:21:08 -04:00 |
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416048e939
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Fix compile error
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2021-07-27 15:57:06 -06:00 |
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f20479f10e
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Fix typo
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2021-07-27 15:47:42 -06:00 |
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e47bd5c490
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Merge branch 'master' of github.com:lammps/lammps into kk_verlet
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2021-07-27 14:28:54 -06:00 |
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c4eee478b1
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move back to src for dependencies
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2021-07-27 15:53:35 -04:00 |
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de4322b54c
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whitespace fixes
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2021-07-27 14:32:04 -04:00 |
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3ff096e517
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Merge pull request #2848 from akohlmey/collected-small-changes
Collected small changes for the next patch release
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2021-07-27 14:24:12 -04:00 |
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b1331f52a5
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Merge pull request #2849 from wmbrownIntel/intel-omp-simd
Convert Intel package simd vectorization directives to OpenMP standard
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2021-07-27 13:37:58 -04:00 |
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dbe14d9ee7
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Add missing method to Kokkos verlet
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2021-07-27 11:22:20 -06:00 |
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d292da78ca
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address CodeQL warnings and reformat with clang-format
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2021-07-27 12:29:44 -04:00 |
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f7f85822a9
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move some more computes from EXTRA-COMPUTE back to src because of dependencies
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2021-07-27 12:07:27 -04:00 |
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8838fbc1c3
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Merge pull request #2850 from akohlmey/lammps-gather-bonds
Implement lammps_gather_bonds() into the C-library interface and the Python module
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2021-07-27 11:30:19 -04:00 |
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