Commit Graph

15940 Commits

Author SHA1 Message Date
ff41864cd9 remove redundant deletes 2021-12-13 15:28:27 -05:00
cdc831bb89 Update src/reader_native.cpp
Co-authored-by: Richard Berger <richard.berger@temple.edu>
2021-12-13 12:23:30 -08:00
f3543a839e Update src/reader_native.cpp
Co-authored-by: Richard Berger <richard.berger@temple.edu>
2021-12-13 12:23:21 -08:00
3eae7b4200 Update src/reader_native.cpp
Co-authored-by: Richard Berger <richard.berger@temple.edu>
2021-12-13 12:23:14 -08:00
af2e295ac2 Update src/reader_native.cpp
Co-authored-by: Richard Berger <richard.berger@temple.edu>
2021-12-13 12:22:57 -08:00
bb6d581ef8 Update src/reader_native.cpp
Co-authored-by: Richard Berger <richard.berger@temple.edu>
2021-12-13 12:22:39 -08:00
94d5c75fdf small updates for docs and comments 2021-12-12 18:11:33 -05:00
7db29112d8 replace read_buf to skip_buf in skip function 2021-12-12 00:26:55 -05:00
274b14618f fold match_fields() back into read_header() function 2021-12-11 21:17:41 -05:00
0603dc6323 whitespace 2021-12-11 20:46:24 -05:00
86b696c78c Merge branch 'develop' into rerun_bin 2021-12-11 20:31:48 -05:00
56fd07d88e fold native binary reader class in to native reader class 2021-12-11 20:31:44 -05:00
8884acef24 Revert "add to compress read"
This reverts commit b22c409079.

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