4bf065ed1c
netcdf: use float values for scale factors instead of double
2021-12-17 10:55:54 +01:00
d04f428c1a
netcdf: default to float variable for everything
...
The standard convention require all values to be stored as
float, users still have the ability to use double with
`dump_modify <id> double yes`
2021-12-17 10:54:43 +01:00
2d4f030f11
Merge pull request #3060 from rbberger/binary_dump_reader_bugfix
...
Bugfix for binary dump reader heap corruption
2021-12-15 17:20:12 -05:00
884dcbe4fa
Refactor reader_native.cpp
...
- Use std::string instead of error-prone char buffers
- Limit reading files to known magic strings DUMPATOM and DUMPCUSTOM
2021-12-15 16:09:50 -05:00
902f9dd1fa
Move allocation to correct location
2021-12-15 15:05:59 -05:00
b3fcda3214
Merge pull request #3057 from akohlmey/next_patch_release
...
Step version strings for the next patch release
2021-12-14 17:08:29 -05:00
676c5a3666
Merge pull request #3059 from nw13slx/rerun_bin
...
[BUGFIX] Wrong block reading in ReaderNative::read_atoms when binary is True and natom > 1024
2021-12-14 16:09:35 -05:00
3efddc4fb6
whitespace
2021-12-14 14:50:38 -05:00
5051055c76
Remove dead code and move nchunk read to read_header
2021-12-14 14:33:17 -05:00
fd18403b0a
Merge pull request #3056 from Ruyk/dpcpp-anon-struct-workaround
...
DPC++ Anonymous Struct Workaround
2021-12-14 11:32:52 -05:00
80819f3793
reverse skip_buf with chunk
2021-12-14 11:09:36 -05:00
4be0e0a4e5
Merge branch 'develop' of https://github.com/lammps/lammps into big_dump_sort
2021-12-14 08:00:14 -07:00
26ebf97630
Merge branch 'develop' of https://github.com/lammps/lammps into compute_phase
2021-12-14 07:56:41 -07:00
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
...
Final changes for next patch release
2021-12-13 21:24:11 -05:00
ccdb939a40
Merge pull request #3054 from nw13slx/rerun_bin
...
Support binary native dump files with read_dump and rerun
2021-12-13 19:22:00 -05:00
72420bad3a
Merge pull request #3058 from jtclemm/documentation_edits
...
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
...
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
1e73beca37
Merge pull request #2809 from rbberger/fmt_upgrade
...
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
...
# 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"
...
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()
...
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
