49ac79fcdd
change error checks for computes that are not current
2023-05-08 08:55:40 -06:00
2132b1d904
update developer reference text
2022-10-24 11:08:26 -04:00
cccf3f6f78
change email for contacting LAMMPS developers, add to homepage checker
2022-10-20 20:36:03 -04:00
7bba3c516f
avoid excess string copy in auto loops
2022-09-01 16:02:32 -04:00
0cac041ad4
avoid segfault when using a custom format with too many format specifiers
2022-08-16 18:03:07 -04:00
34cb0b7047
add support for dump_modify colname to dump local
2022-07-17 11:46:19 -04:00
74f2b67b1a
no if statement required before delete[]
2022-04-10 19:55:24 -04:00
f3fa04ae0a
bugfix
2022-03-30 15:01:03 -04:00
c4729b39b4
replace more uses of XXXINT_FORMAT with fmtlib
2022-03-30 13:53:25 -04:00
88ac22cd62
silence compiler warnings. avoid uninitialized access.
2022-03-18 20:02:49 -04:00
8fe7b928a7
use newer APIs to get access to fixes and computes
2022-03-18 13:16:18 -04:00
53e773e438
calling fwrite() with a null pointer causes undefined behavior. avoid it.
2021-09-25 10:18:55 -04:00
72193bf877
simplify/modernize
2021-09-16 00:11:44 -04:00
09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
ed926812dc
simplify
2021-04-23 18:47:57 -04:00
8541b0da3e
reduce compiler warnings by avoiding to redeclare variables so they shadow others
2021-04-23 15:35:45 -04:00
234c755507
Add missing types in dump local
2021-04-09 17:21:33 -04:00
5c9a5ba8ac
Add missing code to allow customized formatting in dump local
2021-04-09 14:48:38 -04:00
77de0273be
Fix typo
2021-04-09 12:37:14 -04:00
1f50557b38
Adopt utils::strdup in dump styles
2021-03-19 15:34:43 -04:00
23e4078b4e
use enumerator constants from base class
2021-03-15 11:27:57 -04:00
b13e5fa234
simplify using std::string and utils::strdup(); get rid of strtok()
2021-03-15 09:36:49 -04:00
c2c8c5e493
Merge remote-tracking branch 'github/master' into arg-info-class
...
# Conflicts:
# src/compute_chunk_atom.cpp
# src/compute_chunk_spread_atom.cpp
# src/compute_reduce.cpp
# src/compute_reduce_region.cpp
# src/compute_slice.cpp
# src/fix_ave_atom.cpp
2021-02-02 11:33:01 -05:00
0e9c44d155
IDs are immutable strings
2021-02-01 10:12:13 -05:00
55da46f3e3
add ArgInfo support to some dump styles
2021-02-01 10:12:03 -05:00
48f15e485d
put consistent definition of INVOKED_* constants as enumerator into compute.h
2021-01-31 20:13:47 -05:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
f1ef7d85a8
T2345: Replace instances of NULL with nullptr
...
The following changes have been applied to src and lib folders:
regex replace: ([^"_])NULL ⇒ \1nullptr (8968 chgs in src, 1153 in lib)
Manually find/change: (void \*) nullptr ⇒ nullptr (1 case)
regex find: ".*?nullptr.*?"
Manually ~14 cases back to "NULL" in src, ~2 in lib
regex finds a few false positive where nullptr appears between two
strings in a function call
2020-09-12 09:34:38 -06:00
f88f4cd60e
more include file updates
2020-09-02 21:44:04 -04:00
6113169a47
IWYU based include statement cleanup
2020-09-02 17:39:34 -04:00
31bd76efa5
Merge remote-tracking branch 'origin/master' into zstd_support
2020-09-01 12:58:41 -04:00
c5a2e50bf5
Add Zstd variants of dump local and xyz
2020-08-31 15:38:20 -04:00
443a817152
Add tests for dump local/gz and xyz/gz
2020-08-31 14:54:10 -04:00
96d8d12a88
replace calls to force->*numeric() with the corresponding utils::*numeric()
...
this also removes the now obsolete functions from Force
2020-08-29 20:31:02 -04:00
741a1d1fc9
move Input::expand_args() to utils::expand_args()
2020-08-29 18:32:10 -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
15d2e1b260
consistent formatting
2019-09-10 09:36:17 -04:00
cd846e1bbb
add ITEM: UNITS line to native text format dumps
2019-09-10 09:18:38 -04:00
7967cb1133
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
31cbccda85
continue cleaning up include file lists
2019-06-29 09:37:44 -04:00
e9bc939098
Fix more unused parameter warnings ( #1076 )
2018-08-23 12:22:44 -06:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
59dbb49cf9
remove trailing whitespace
2018-03-16 12:37:27 -04:00
7b2182833f
disallow binary output with dump style local. fixes #596
2017-07-22 10:35:16 -04:00
b221b15d24
NULLing ptrs in comm_brick and dump*.cpp
2016-11-07 15:50:18 +01:00
babaa839b0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15570 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-09-13 22:55:40 +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
eb8fdc4ab6
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14831 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-04-15 16:08:22 +00:00
