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18c77db8c3
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Add Kokkos vel methods
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2020-05-07 15:16:17 -06:00 |
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5db1e4fe8d
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Initialize variables since Kokkos doesn't call setup_fields
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2020-05-07 13:19:12 -06:00 |
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d69009ac45
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Fix pointer delete issue with Kokkos package
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2020-05-07 11:10:09 -06:00 |
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cc18177153
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Whitespace cleanup
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2020-05-07 10:46:32 -06:00 |
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3a23a97f64
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Merge branch 'atomvec-custom' of github.com:lammps/lammps into atomvec-custom
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2020-05-07 10:42:50 -06:00 |
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71149768c6
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fix atom_vec_hybrid bug
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2020-05-07 10:42:40 -06:00 |
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2b9a1a6982
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Fix Kokkos runtime issue with special bonds
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2020-05-07 10:35:08 -06:00 |
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8ed5829d32
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Merge branch 'atomvec-custom' of github.com:lammps/lammps into atomvec-custom
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2020-05-06 16:25:22 -06:00 |
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25632992f4
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updates to USER-SPH example scripts
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2020-05-06 16:25:07 -06:00 |
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8301c7a9c6
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Merge branch 'master' of ssh://github.com/lammps/lammps into atomvec-custom
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2020-05-06 15:53:21 -06:00 |
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7d9091cacc
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Add back in old hybrid functions, needed by Kokkos package
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2020-05-06 15:49:44 -06:00 |
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9e7765064c
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Merge branch 'atomvec-custom' of github.com:lammps/lammps into atomvec-custom
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2020-05-06 15:28:41 -06:00 |
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1225f7d1e0
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small changes to examples scripts for regression purposes
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2020-05-06 15:28:27 -06:00 |
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14fb49c1cb
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Merge pull request #2068 from junghans/cmake_enable_chain.x
cmake: enable Fortran before checking for the compiler
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2020-05-05 18:36:08 -04:00 |
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fc7b1dc4fd
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Merge branch 'cmake_enable_chain.x' of github.com:junghans/lammps into cmake_enable_chain.x
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2020-05-05 11:27:40 -04:00 |
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b933538dfa
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tweak tbbmalloc search path for intel 19.1 compiler
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2020-05-05 11:27:19 -04:00 |
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8a114fca97
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cmake: include where it is used
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2020-05-05 08:53:49 -06:00 |
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9708b58939
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check for fortran instead of directly enabling it
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2020-05-05 10:41:18 -04:00 |
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bcd50646b4
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don't enable fortran if the generator does not support it.
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2020-05-05 10:23:04 -04:00 |
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b5af7da2c6
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cmake: enable Fortran before checking for the compiler
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2020-05-05 07:10:42 -06:00 |
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260e6bafd5
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Merge pull request #2064 from akohlmey/next_lammps_version
Update version strings for the next patch release
patch_5May2020
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2020-05-04 19:43:12 -04:00 |
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1329603184
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Merge pull request #2019 from z-gong/viscosity
Fix and compute styles for calculating viscosity with periodic perturbation method
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2020-05-04 17:42:31 -04:00 |
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71ab9dc02b
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Merge pull request #2049 from rbberger/singularity_container_update
Singularity container update
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2020-05-04 17:27:54 -04:00 |
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6d0ef85671
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Merge pull request #2055 from akohlmey/reaxc-runtime-adjust
Make MIN_HBONDS define for reax/c configurable via an input option
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2020-05-04 10:28:13 -04:00 |
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48262fd0a9
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Merge pull request #2051 from akohlmey/collected-small-changes
Collected small changes for the next patch release
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2020-05-04 10:06:45 -04:00 |
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bed6ad4660
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manually incorporate fixes for ave/correlate/long from PR #2066
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2020-05-04 08:18:56 -04:00 |
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7295e93e9b
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step version strings for the next patch release
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2020-05-03 07:28:38 -04:00 |
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61284891ee
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add a few more packages to the "most" preset
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2020-05-03 05:04:07 -04:00 |
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b12b69f6dc
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silence compiler warning
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2020-05-03 04:55:35 -04:00 |
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f1e1644fe1
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fix typo that resulted in LAPACK not being properly linked with USER-ATC
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2020-05-03 04:55:25 -04:00 |
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d811fd0da7
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skip building chain.x, if no Fortran compiler is available
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2020-05-03 04:23:52 -04:00 |
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fdb4ba51da
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add patch to VORONOI package external build so it will compile with BSD make
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2020-05-03 04:04:02 -04:00 |
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f5be3ccab4
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add the check for MPI in USER-ATC at the correct location
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2020-05-03 03:06:41 -04:00 |
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863b50501c
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port MPI stubs workaround to USER-ATC
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2020-05-03 02:49:52 -04:00 |
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4bf9c47317
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support diskfree option to "fix halt" also on BSD variants
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2020-05-03 02:34:40 -04:00 |
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e8d4cc424e
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use different header for alloca(3) on *BSD
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2020-05-03 01:10:04 -04:00 |
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fa2a6d7c6b
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replace legacy preprocessor tests for linux with POSIX compliant ones
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2020-05-03 01:04:52 -04:00 |
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d5b9948129
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extend FreeBSD preprocessor checks to other BSD flavors
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2020-05-03 01:00:01 -04:00 |
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795e2cb133
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recover compilation of fix imd on FreeBSD
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2020-05-02 16:04:01 -04:00 |
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2b542eacb7
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add FreeBSD compatibility
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2020-05-02 15:56:24 -04:00 |
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613b8a7596
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use static_cast<>() for casting NULL
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2020-05-02 06:29:43 -04:00 |
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c18efdbfa7
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initialize pointers in order of definition
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2020-05-02 06:29:12 -04:00 |
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1418ec4ace
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make MIN_HBONDS define for reax/c configurable via an input option
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2020-05-01 23:22:48 -04:00 |
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8c52032b7a
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Merge pull request #1902 from stanmoore1/kk_compute_coord_atom
Add Kokkos version of compute coord/atom
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2020-05-01 19:36:19 -04:00 |
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53ac67f522
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Merge pull request #2053 from stanmoore1/kk_remap_mpi
Allow Kokkos remap to turn off CUDA-aware MPI
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2020-05-01 19:35:03 -04:00 |
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91d871ec27
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Merge pull request #2054 from stanmoore1/kk_cb2a9e4
Add change missed in #2004
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2020-05-01 19:33:51 -04:00 |
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af3e8b4564
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Add change missed in cb2a9e4
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2020-05-01 13:25:23 -06:00 |
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ab1ecdccfc
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fix typo in comment
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2020-05-01 14:34:35 -04:00 |
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3ccab20e9e
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add new false positives
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2020-05-01 14:34:27 -04:00 |
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5cb9d12538
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whitespace cleanup
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2020-05-01 14:34:20 -04:00 |
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