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2ed18bb841
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tweak output format
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2020-08-19 20:15:00 -04:00 |
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2feccc2837
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fix dispersion gridcomm buffer bug
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2020-08-19 20:12:43 -04:00 |
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729b3d2717
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major whitespace cleanup
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2020-08-19 18:46:35 -04:00 |
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503d3826bb
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Merge branch 'master' into gridcomm-tiled
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2020-08-19 18:36:49 -04:00 |
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fdb1e69768
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silence compiler warnings
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2020-08-19 18:36:28 -04:00 |
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284cdceae8
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silence compiler warnings
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2020-08-19 18:19:28 -04:00 |
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ba06a7bf0c
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final gridcomm comments and flip FFT forward/reverse
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2020-08-19 16:05:30 -06:00 |
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8f156bfee6
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Fix typo in pppm_gpu.cpp
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2020-08-19 14:25:06 -06:00 |
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6f37da4eb2
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Whitespace cleanup
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2020-08-19 14:10:35 -06:00 |
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5ea7ca94f4
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Revert accidental change
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2020-08-19 13:54:06 -06:00 |
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073c7ee138
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Fix warnings related to virtual function override
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2020-08-19 13:29:11 -06:00 |
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33cc932d03
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Eigen3 is now hosted at GitLab. The bitbucket repo is gone. Update URLs and MD5s
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2020-08-19 15:21:43 -04:00 |
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af50d90b55
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add author to README
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2020-08-19 15:15:28 -04:00 |
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20c24b1f3b
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add tests for momentum fixes and nve/limit
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2020-08-19 15:08:46 -04:00 |
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b1fbee9bd0
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skip testing fix nve/limit for r-RESPA as it is not compatible by design
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2020-08-19 15:08:32 -04:00 |
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a0aca4cee4
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improve error message
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2020-08-19 15:08:04 -04:00 |
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b4ce4a0979
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must delete internal computes if they already exist (e.g. after a restart)
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2020-08-19 15:07:56 -04:00 |
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cc0d294478
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Fix segfault
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2020-08-19 13:05:23 -06:00 |
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acd0a62de7
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add new fix style momentum/chunk
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2020-08-19 14:44:18 -04:00 |
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3a8b2aef17
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Small tweaks
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2020-08-19 09:45:19 -06:00 |
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e9de1c1a9a
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Merge pull request #2293 from akohlmey/collected-small-changes
Collected small changes and fixes
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2020-08-19 11:11:43 -04:00 |
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fcec5c35ea
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Remove error check in pppm_kokkos
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2020-08-19 08:57:46 -06:00 |
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f7c6e8e6b1
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Eigen3 is now hosted at GitLab. The bitbucket repo is gone. Update URLs and MD5s
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2020-08-19 10:50:54 -04:00 |
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1413e61553
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tweak test presision so it passes with more compilers
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2020-08-19 00:59:50 -04:00 |
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7e4e756b23
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remove dead code
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2020-08-18 22:46:34 -04:00 |
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174a282e0c
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fix signed vs. unsiged warning
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2020-08-18 22:46:26 -04:00 |
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8e74d5ad02
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Eigen3 is now hosted at GitLab. The bitbucket repo is gone. Update URLs and MD5s
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2020-08-18 21:29:43 -04:00 |
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4d31afce2d
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Port changes to PPPMKokkos
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2020-08-18 16:06:43 -06:00 |
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43f6fa4b29
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Merge pull request #2136 from rbberger/refactor-reading
Refactor value parsing code segments and add dump tests
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2020-08-18 16:18:33 -04:00 |
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a53ee5664e
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silence compiler warnings about signed vs. unsigned ints
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2020-08-18 15:51:06 -04:00 |
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f6ac4a26c4
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reorder initialization in constructor to silence compiler warnings
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2020-08-18 15:47:03 -04:00 |
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e2923d2d8c
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Merge branch 'master' of ssh://github.com/lammps/lammps into gridcomm-tiled
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2020-08-18 13:43:33 -06:00 |
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02f66f1e9f
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protect pragmas with ifdefs
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2020-08-18 15:39:44 -04:00 |
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b38bf6c06a
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silence some more unused parameter/variable warnings
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2020-08-18 15:28:23 -04:00 |
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07c47fbd4a
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silence some more signedness warnings
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2020-08-18 15:28:02 -04:00 |
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63575829da
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reorder initialization
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2020-08-18 15:26:37 -04:00 |
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e185537255
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avoid uninitialized access
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2020-08-18 14:33:14 -04:00 |
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78d5714247
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silence signed vs. unsigned integer warnings
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2020-08-18 14:33:02 -04:00 |
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a537ffabf9
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correct illegal and uninitialized data access issue
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2020-08-18 14:19:57 -04:00 |
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2fea8f888a
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Merge branch 'master' into collected-small-changes
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2020-08-18 14:15:06 -04:00 |
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18b12e8979
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Merge branch 'master' into reduce-kokkos-compiler-warnings
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2020-08-18 13:50:35 -04:00 |
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d63f3d87eb
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Merge pull request #2292 from akohlmey/warning-no-mixing-data-file
Print warning when writing PairCoeff section in data file may not sufficiently reproduce all pair coefficients
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2020-08-18 13:45:44 -04:00 |
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c7f8a6d154
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Add format line test to dump atom
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2020-08-18 13:15:28 -04:00 |
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72f3c3803e
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Fix warning with #pragma unroll
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2020-08-18 11:13:50 -06:00 |
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216a016a08
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Add simple tests for dump cfg
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2020-08-18 12:37:16 -04:00 |
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0d38a1418e
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Merge branch 'master' into warning-no-mixing-data-file
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2020-08-18 12:24:01 -04:00 |
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6b024d4697
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Merge branch 'master' of github.com:lammps/lammps into reduce-kokkos-compiler-warnings
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2020-08-18 10:15:55 -06:00 |
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dae2cb2668
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Merge pull request #2286 from weinbe2/fea-snap-ui-optim
Kokkos SNAP optimizations – Pre-computing Cayley-Klein parameters, symmetrized data layouts for host and device backends, reducing number of atomics
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2020-08-18 11:55:46 -04:00 |
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9c769fe90e
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Complete refactor of dump custom tests
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2020-08-18 11:53:10 -04:00 |
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6dfe2f3351
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Minor code cleanup
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2020-08-18 09:21:28 -06:00 |
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