084024cdc3
format
2022-09-25 06:41:37 -04:00
893586c8eb
Merge branch 'develop' into fix-pair-dump-skip
2022-09-12 18:19:12 -04:00
7e6bd892ed
apply clang-format
2022-09-10 03:29:32 -04:00
f039c00442
add dump skip option
2022-07-27 17:13:46 -06:00
b46773e398
add support for writing a dump file footer
2022-06-17 15:53:04 -04:00
78c10bac4a
clang-format update
2022-04-23 13:08:11 -04:00
115962db88
Merge branch 'develop' into remove-error-docs-in-header
2022-04-23 12:46:54 -04:00
79a7d2abf6
remove error docs from header files
2022-04-22 23:31:15 -04:00
69d9c5187e
refactor group access, enable and apply clang-format
2022-04-15 15:29:43 -04:00
ef4e41d2a2
programming style and format updates
2022-04-12 22:52:07 -04:00
ce67cb0ca1
first stab at implementing dump_modify colname
2022-04-01 07:41:13 -04:00
d6a6f64576
Merge pull request #3090 from rbberger/modernize_use_override
...
Modernize to C++11: use override
2022-01-28 14:10:45 -05:00
67af170929
Sorting is not required for balancing
2022-01-24 16:22:55 -07:00
a80f7ed11f
Add error message to header file
2022-01-24 15:32:20 -07:00
16810b84eb
Add option to balance dump file output
2022-01-24 14:35:27 -07:00
586cf6c3bf
Apply override to Dump classes
2022-01-20 16:58:23 -05:00
241a44f1af
another workaround for rerun
2022-01-18 04:56:47 -05:00
23f1c9de60
Merge branch 'develop' into time-dumps2
2021-12-23 14:29:04 -05:00
ded48cc031
more optimizations and extend to other dump styles
2021-12-21 10:57:42 -07:00
15f1c2d960
Fix inaccurate error message
2021-11-18 08:50:09 -07:00
5616336d5e
Allow sorting with reorderflag for more than 2 billion atoms
2021-11-18 07:59:45 -07:00
07a25144ee
Remove error from dump.h
2021-11-04 20:06:30 -06:00
80f28e7fa9
fixing merge conflicts, update to master
2021-06-02 12:33:37 -06:00
09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
d939a16d3b
Completing pair and fix
2021-05-14 17:26:51 -06:00
7fcd449864
apply clang-format to all headers with some exceptions
2021-05-14 19:16:07 -04:00
df7fe4431f
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
0183e999c9
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -04:00
01214de6bd
add support for adding an ITEM: TIME output to some dump files
2019-09-30 11:03:22 -04:00
e413aaf217
add support for optionally including unit information in standard dump files
2019-09-12 14:37:42 -04:00
03418be645
minor tweaks to already processed files
2019-07-08 16:22:55 -04:00
333bec0222
headers that directly or indirectly include pointers.h may assume <cstdio> is loaded, too.
2019-06-27 10:12:53 -04:00
84e156d380
first batch of changes suggested by using include-what-you-use tool
2019-06-27 09:14:36 -04:00
ca6920be72
Merge pull request #907 from akohlmey/dump_maxfile
...
Implement 'dump_modify maxfiles' feature
2018-05-12 12:59:33 -06:00
7780d92823
implement 'dump_modify maxfiles' feature as discussed
2018-05-10 23:25:26 -04:00
1224296365
move enum{INT,DOUBLE,STRING,BIGINT}; to Dump class in dump.h
2018-05-10 01:09:04 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
5221ac2d55
add placeholders to include files for error messges
2018-04-03 17:48:31 -06:00
a19e8fb269
Merge branch 'master' into resetids
2018-03-30 09:15:24 -06:00
5fd17670b1
new reset_ids command and dump_modify delay option
2018-03-28 11:31:35 -06:00
2aef3a0e96
new dump_modify refresh and compute displace/atom refresh commands for incremental dump files
2018-03-27 14:37:04 -06:00
218bc92c82
make pre-processor defines for using libc's qsort() consistent
2017-06-20 17:13:42 -04:00
c1b0b1b3f9
restore old qsort() based code and add preprocessor directives to switch
...
-DLMP_USE_LIBC_QSORT will use qsort() from libc to sort (requires static/global variables).
-DLMP_USE_MERGE_SORT will use a plain merge sort. slightly slower for expensive comparisons.
-DLMP_USE_HYBRID_SORT will use hybrid merge sort. faster than merge sort (no static/global variables)
2017-06-16 18:17:48 -04:00
8500a197ae
whitespace cleanup
2017-06-14 23:13:10 -04:00
1f17e8ebbb
remove need for static class member variables in Dump and Irregular
...
The dump and irregular classes were using qsort() from the C-library
for sorting lists through custom comparison functions, which required
access to additional data, which was passed via static class variables,
i.e. globals. This collides with having multiple LAMMPS instances in
the same address space.
the calls to qsort() are replaced with a custom merge sort, which passes
a void pointer to the comparison functions, which can contain any kind
of desired information, e.g. a class handle or a list
2017-06-14 23:10:53 -04:00
7bf1d9b40f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15489 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-23 22:17:44 +00:00
bfba361f65
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15480 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-20 22:22:00 +00:00
38226b8086
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15426 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-03 16:09:38 +00:00
468ef144d4
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14602 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-15 16:10:43 +00:00
354e20f431
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
