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eb78f8842f
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another change to pppm/stagger
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2020-08-14 09:41:30 -06:00 |
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3aee1b75b1
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update README
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2020-08-14 11:21:51 -04:00 |
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08a5a05ece
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reduce compiler warnings in KOKKOS version of USER-DPD code
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2020-08-13 20:54:06 -04:00 |
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1939a9e665
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silence a few more compiler warnings and remove dead code
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2020-08-13 20:13:51 -04:00 |
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4227c5e9e1
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silence more compiler warnings about unused parameters and variables
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2020-08-13 18:19:35 -04:00 |
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1b60f876e0
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Some refactoring of tests
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2020-08-13 18:04:34 -04:00 |
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dbcf66cf97
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Increase coverage of dump custom
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2020-08-13 17:41:06 -04:00 |
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eab8652d3a
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Fix triclinic binary header in dump custom
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2020-08-13 17:40:44 -04:00 |
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2ba4778640
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Add missing cleanup
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2020-08-13 17:39:57 -04:00 |
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f1afa45b92
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Merge branch 'gridcomm-tiled' of ssh://github.com/lammps/lammps into gridcomm-tiled
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2020-08-13 14:52:31 -06:00 |
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40e55af8d7
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Port GridComm changes to Kokkos
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2020-08-13 14:51:58 -06:00 |
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abc3e17619
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fix loop control bug in qeq/reax/kk
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2020-08-13 16:30:12 -04:00 |
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6778489247
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silence a whole bunch more compiler warnings
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2020-08-13 16:26:50 -04:00 |
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0d2a280397
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silence compiler warnings
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2020-08-13 15:46:00 -04:00 |
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fbcc97586f
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Update binary format of dump custom
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2020-08-13 14:45:22 -04:00 |
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6225a7d45c
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Merge branch 'gridcomm-tiled' of github.com:lammps/lammps into gridcomm-tiled
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2020-08-13 12:03:42 -06:00 |
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a1ca4ecbe8
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add GridComm API changes to msm/cg/omp
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2020-08-13 12:03:32 -06:00 |
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71ec14087d
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Reduce code duplication in tests
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2020-08-13 13:00:37 -04:00 |
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1fb7ba9e4b
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Add tests for dump_custom
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2020-08-13 12:35:47 -04:00 |
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27e8ee7bd8
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Fix typo
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2020-08-13 12:34:16 -04:00 |
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87a356a211
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Add write_dump tests for dump atom
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2020-08-13 12:04:54 -04:00 |
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f9697bd9f5
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Add optional TIME to binary dump atom format
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2020-08-13 11:48:29 -04:00 |
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6d725c9b1c
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Merge pull request #2287 from akohlmey/lattice-region-tester
Add unittest tool for lattice and region (/w create_box/create_atoms)
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2020-08-13 11:47:08 -04:00 |
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6d80435b51
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Refactoring dump_atom.cpp
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2020-08-13 11:35:05 -04:00 |
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836ba01d51
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Rename test_dump.cpp to test_dump_atom.cpp
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2020-08-13 11:14:30 -04:00 |
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4157ab3bd3
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silence compiler warnings about unused parameters
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2020-08-13 11:11:28 -04:00 |
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7b0bfed01d
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Add failure tests to dump atom
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2020-08-13 11:01:16 -04:00 |
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6d825dcb6b
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Add UNITS information to dump atom binary format
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2020-08-13 10:49:03 -04:00 |
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1c2747739a
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Merge pull request #2284 from akohlmey/fix-tester
Add unit test tool for fixes that do time integration, thermostatting, force manipulations and similar
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2020-08-13 10:23:29 -04:00 |
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b27d63059c
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Add tests for units in dump atom
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2020-08-13 10:22:46 -04:00 |
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dc484f06c8
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do not mix class and struct for functors: use class consistently
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2020-08-13 10:17:14 -04:00 |
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bd7917919b
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update list of pointer variables to be initialized to NULL in the msm constructor
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2020-08-13 09:34:02 -04:00 |
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ba793f2e56
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add region tests and a few more death tests for lattice commands
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2020-08-12 22:16:50 -04:00 |
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6eb6ab308b
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more tests for lattice command failures
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2020-08-12 22:16:50 -04:00 |
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f8c7c13168
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complete lattice testers and start with regions+lattice+create_atoms
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2020-08-12 22:16:50 -04:00 |
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33118491a9
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update custom lattice example for better syntax highlighting and remove unused lines
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2020-08-12 22:16:50 -04:00 |
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1cd2dfee3f
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add more lattices
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2020-08-12 22:16:50 -04:00 |
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5c5774c8a4
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add check for compatible lattice command when calling create_atoms
without this check it is possibly to use the dimension keyword after
using lattice and then create atoms with an unsuitable lattice setting
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2020-08-12 22:16:49 -04:00 |
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7e558e4628
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add tester tool for lattice and region commands
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2020-08-12 22:16:49 -04:00 |
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e2cedebd29
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more enumerator to class definition in header, so it can be accessed by tester
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2020-08-12 22:16:49 -04:00 |
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3a1b88c57f
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enable MSM to work withe new GridComm class
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2020-08-12 17:41:31 -06:00 |
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e00544c8bf
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Merge branch 'gridcomm-tiled' of github.com:lammps/lammps into gridcomm-tiled
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2020-08-12 14:28:25 -06:00 |
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ecec36cc15
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remove trial versions of PPPM2 and GridComm2
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2020-08-12 14:26:15 -06:00 |
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eae7312680
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changes to more PPPM variants for tiled support
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2020-08-12 14:25:28 -06:00 |
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a5d27763e5
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Added support for symmetrized memory layouts for ui/duidrj for the CPU- and GPU-path SNAP Kokkos implementation, various perf optimizations for ComputeUi/ComputeFusedDeidrj
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2020-08-12 16:15:06 -04:00 |
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adf8d638e8
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add missing word
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2020-08-11 21:23:47 -04:00 |
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5050538d59
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add tests for addforce and aveforce fixes
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2020-08-11 21:00:16 -04:00 |
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99604a6155
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Merge branch 'collected-small-fixes' into fix-tester
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2020-08-11 20:26:46 -04:00 |
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68d94f9b59
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fix memory leaks in pair style meam/spline
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2020-08-11 20:25:35 -04:00 |
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dff8a50a46
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fix memory leak in pair style edip
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2020-08-11 20:14:39 -04:00 |
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