62cdf7ab2d
update docs
2021-12-14 09:13:05 -05:00
1c38b7633f
generalize and simplify support for accelerated commands with suffixes
2021-12-14 09:06:04 -05:00
dee995f918
consistent author attribution
2021-12-14 09:05:28 -05:00
d6048ba576
added copyright/license header and updated author attribution
2021-12-14 08:41:49 -05:00
5b57d662c3
Merge branch 'develop' into OptimizedDynamicalMatrix
2021-12-14 08:35:58 -05:00
813f756382
Merge branch 'develop' into dpcpp-anon-struct-workaround
2021-12-14 06:59:12 -05:00
91633a4460
make workaround easier to disable and to remove
2021-12-14 06:59:03 -05:00
7c3deaa04b
limit the skip buf to MAXSMALLINT
2021-12-13 23:03:10 -05:00
b1d0dd65ea
simply the while loop and add correct initial m value
2021-12-13 22:57:39 -05:00
d4cec8ebe7
handle block reading in ReaderNative::read_atoms when binary is True
2021-12-13 21:38:16 -05:00
5a39efff19
Merge pull request #3055 from akohlmey/collected-small-changes
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Final changes for next patch release
2021-12-13 21:24:11 -05:00
744e615dbb
Revamping public methods for history, adding support for bond react
2021-12-13 17:35:53 -07:00
ccdb939a40
Merge pull request #3054 from nw13slx/rerun_bin
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Support binary native dump files with read_dump and rerun
2021-12-13 19:22:00 -05:00
a887d880c6
debugged kokkos support to dynamical_matrix command
2021-12-13 14:14:14 -08:00
72420bad3a
Merge pull request #3058 from jtclemm/documentation_edits
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Fixing some references to MISC package in documentation
2021-12-13 16:59:10 -05:00
ff41864cd9
remove redundant deletes
2021-12-13 15:28:27 -05:00
cdc831bb89
Update src/reader_native.cpp
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Co-authored-by: Richard Berger <richard.berger@temple.edu >
2021-12-13 12:23:30 -08:00
f3543a839e
Update src/reader_native.cpp
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Co-authored-by: Richard Berger <richard.berger@temple.edu >
2021-12-13 12:23:21 -08:00
3eae7b4200
Update src/reader_native.cpp
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Co-authored-by: Richard Berger <richard.berger@temple.edu >
2021-12-13 12:23:14 -08:00
af2e295ac2
Update src/reader_native.cpp
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Co-authored-by: Richard Berger <richard.berger@temple.edu >
2021-12-13 12:22:57 -08:00
bb6d581ef8
Update src/reader_native.cpp
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Co-authored-by: Richard Berger <richard.berger@temple.edu >
2021-12-13 12:22:39 -08:00
1e73beca37
Merge pull request #2809 from rbberger/fmt_upgrade
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Upgrades fmtlib to v8.0.1
2021-12-13 15:14:58 -05:00
2b85799729
Updating MISC to EXTRA-X in doc files
2021-12-13 12:27:00 -07:00
94ac1ad4a0
update version strings for the next patch release
2021-12-13 11:56:44 -05:00
9159b37e47
Merge branch 'develop' into fmt_upgrade
2021-12-13 10:03:38 -05:00
d33019d8e4
llvm anonymous struct workaround
2021-12-13 11:08:06 +00:00
94d5c75fdf
small updates for docs and comments
2021-12-12 18:11:33 -05:00
33aea05080
adjust example for changes in when reset_timestep may be used
2021-12-12 10:01:52 -05:00
7db29112d8
replace read_buf to skip_buf in skip function
2021-12-12 00:26:55 -05:00
913b1536d4
whitespace
2021-12-11 21:18:33 -05:00
274b14618f
fold match_fields() back into read_header() function
2021-12-11 21:17:41 -05:00
e23a2bfb55
Merge branch 'rerun_bin' of github.com:nw13slx/lammps into rerun_bin
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# Conflicts:
# src/reader_native_bin.cpp
2021-12-11 21:05:01 -05:00
87501347ad
add minimal unit tests for reading binary dumps
2021-12-11 21:03:32 -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
565c8d6589
use fseek to skip bufs
2021-12-11 20:02:32 -05:00
8884acef24
Revert "add to compress read"
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This reverts commit b22c409079
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
6e05aff3bf
Update CMake utility function get_lammps_version()
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With the introduction of LAMMPS_UPDATE, version.h is no longer a single line
file. With this change the CMake utility will only process the LAMMPS_VERSION
line. Fixes issue #3038
2021-12-11 15:08:40 -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
