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ff41864cd9
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remove redundant deletes
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2021-12-13 15:28:27 -05:00 |
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cdc831bb89
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Update src/reader_native.cpp
Co-authored-by: Richard Berger <richard.berger@temple.edu>
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2021-12-13 12:23:30 -08:00 |
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f3543a839e
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Update src/reader_native.cpp
Co-authored-by: Richard Berger <richard.berger@temple.edu>
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2021-12-13 12:23:21 -08:00 |
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3eae7b4200
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Update src/reader_native.cpp
Co-authored-by: Richard Berger <richard.berger@temple.edu>
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2021-12-13 12:23:14 -08:00 |
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af2e295ac2
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Update src/reader_native.cpp
Co-authored-by: Richard Berger <richard.berger@temple.edu>
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2021-12-13 12:22:57 -08:00 |
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bb6d581ef8
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Update src/reader_native.cpp
Co-authored-by: Richard Berger <richard.berger@temple.edu>
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2021-12-13 12:22:39 -08:00 |
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94d5c75fdf
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small updates for docs and comments
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2021-12-12 18:11:33 -05:00 |
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7db29112d8
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replace read_buf to skip_buf in skip function
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2021-12-12 00:26:55 -05:00 |
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274b14618f
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fold match_fields() back into read_header() function
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2021-12-11 21:17:41 -05:00 |
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0603dc6323
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whitespace
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2021-12-11 20:46:24 -05:00 |
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86b696c78c
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Merge branch 'develop' into rerun_bin
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2021-12-11 20:31:48 -05:00 |
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56fd07d88e
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fold native binary reader class in to native reader class
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2021-12-11 20:31:44 -05:00 |
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8884acef24
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Revert "add to compress read"
This reverts commit b22c409079.
# Conflicts:
# src/platform.cpp
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2021-12-11 19:40:21 -05:00 |
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d7bb9b5f30
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reverse clang-format on irrelevant lines
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2021-12-11 17:49:29 -05:00 |
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b22c409079
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add to compress read
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2021-12-11 17:44:41 -05:00 |
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626889f534
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move the rb mode to the overloaded open_file function
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2021-12-11 17:36:29 -05:00 |
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d59458fa37
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clean up commands and documentation
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2021-12-11 17:24:27 -05:00 |
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8f99d8d1d9
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fix skip bugs
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2021-12-11 16:41:13 -05:00 |
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250a5921a3
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move match_field to protected method and format the docstring
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2021-12-11 14:25:29 -05:00 |
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2cdafb49a2
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remove variable names from func declaration
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2021-12-11 14:14:06 -05:00 |
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e9f0351b67
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reverse formatting on irrelevant files
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2021-12-11 14:10:47 -05:00 |
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eff26ba0b3
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add read_buf method and fix bugs in inheritance
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2021-12-11 14:02:58 -05:00 |
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b1e7333348
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remove wrong compression mode
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2021-12-11 12:32:17 -05:00 |
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7ab5d4edd4
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add new ReaderNativeBin class
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2021-12-11 11:54:21 -05:00 |
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4f34c4374b
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Merge pull request #3053 from stanmoore1/kk_desul
Enable Kokkos Desul atomics in Makefile to match CMake settings
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2021-12-11 06:12:50 -05:00 |
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abd3df0c5a
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Merge pull request #3040 from akohlmey/collected-small-changes
Collected small changes and bugfixes
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2021-12-10 15:51:13 -05:00 |
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fc64fca3d9
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Whitespace
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2021-12-10 13:34:38 -07:00 |
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6bd3ddf908
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Don't use fetch variant of atomic if not needed
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2021-12-10 13:27:57 -07:00 |
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e49b7d0514
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Remove atomics for error/warning flags since they are not needed
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2021-12-10 13:14:12 -07:00 |
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fa8e2ccee8
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Merge pull request #2958 from jddietz/nm_split_styles
nm split styles
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2021-12-10 13:42:31 -05:00 |
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14fc42833f
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modernize potential file reader for local/density
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2021-12-10 08:45:01 -05:00 |
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3fc0ea3e80
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correct names of the pack/unpack routines for forward communication
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2021-12-09 18:30:54 -05:00 |
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146c6fe5ff
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remove check that is no longer needed
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2021-12-09 18:08:43 -05:00 |
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facb49fc27
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disallow reset_timestep for time averaging fixes
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2021-12-09 15:09:42 -05:00 |
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754610b9ee
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Merge pull request #3041 from oywg11/modified-sw-potential
A modified Stillinger-Weber potential for transition metal dichalcogenide
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2021-12-09 09:43:49 -05:00 |
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8f0dea91c7
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correct setting forward/reverse buffer size info
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2021-12-08 13:54:47 -05:00 |
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a5ee7ca73f
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make certain did_mix is initialized
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2021-12-08 00:51:04 -05:00 |
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40c04a210b
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correct handling of data packing for forward and reverse communication
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2021-12-08 00:22:36 -05:00 |
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605d2b7ab2
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Use SYCL pinned host memory from Kokkos.
Depends on this PR from Kokkos:
https://github.com/kokkos/kokkos/pull/4268/
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2021-12-07 16:49:27 +00:00 |
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ac57c44552
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update unit test for renamed bond style
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2021-12-06 16:35:20 -05:00 |
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6314290558
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clarify docs for bond style fene/nm/split and rename to fene/nm
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2021-12-06 16:21:12 -05:00 |
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f88009c626
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correct comments
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2021-12-06 15:50:16 -05:00 |
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c72771ae1d
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align with non-OpenMP version
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2021-12-03 17:16:08 -05:00 |
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6b28816c11
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must set defaults for (optional) maxdelcs keyword, add consistency check
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2021-12-03 17:15:44 -05:00 |
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2d6e4d4d79
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Merge branch 'develop' into nm_split_styles
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2021-12-03 14:18:07 -05:00 |
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405fea44da
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convert from CR-LF to consistent line endings
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2021-12-03 14:17:31 -05:00 |
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859e0348ea
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fixed some issues
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2021-12-03 17:45:31 +02:00 |
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1dd4a67771
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add keyword for userdefined maxdelcs
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2021-12-03 17:32:08 +02:00 |
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262c103aaa
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replacing hard-coded values with named constants
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2021-12-03 15:46:00 +02:00 |
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9a90803b23
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Merge pull request #2984 from lammps/delete-atoms-porosity-group
Add new group arg for delete_atoms porosity
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2021-12-02 16:07:49 -05:00 |
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