3748a14582
warn about problems with the MPIIO package
2021-12-23 01:59:45 -05:00
c8512249b7
Merge branch 'develop' into modify-fix-compute-accessors
...
# Conflicts:
# src/PLUGIN/plugin.cpp
2021-10-27 21:14:05 -04:00
9424571ce2
Use correct sizeof in memset
2021-10-27 17:01:03 -04:00
8bf016eaef
use references when looping over fixes from list
2021-10-25 21:41:57 -04:00
d0416757b7
simplify using new APIs
2021-10-24 18:00:15 -04:00
5128eb7b43
port read/write_restart to use the platform namespace
2021-10-05 16:35:37 -04:00
385220fd4b
format changes
2021-09-17 22:50:15 -04:00
b03f25a650
simplify
2021-07-19 01:02:06 -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
e9e0bb71b6
Use varargs version of Error:all() and Error::one() where applicable
2021-04-25 21:30:51 -04:00
4ed57cb757
Merge pull request #2705 from akohlmey/collected-small-changes
...
Collected small changes and fixes
2021-04-16 17:07:39 -04:00
b53822da46
provide Command base class in command.h for deriving command styles from
2021-04-13 17:47:00 -04:00
fab571cf6b
IWYU reported header updates
2021-04-13 00:47:49 -04:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
4c51a8ae57
move version and num_ver from Universe to LAMMPS and make num_ver an int
2020-09-19 11:37:08 -04:00
baa49984c2
update comments
2020-09-15 14:19:40 -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
9925122cea
more IWYU updates
2020-09-03 00:22:09 -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
729cc81f31
make more use of utils::logmesg()
2020-07-31 22:16:06 -04:00
92f194ac93
make sure output buffer is initialized
2020-07-16 17:32:17 -04:00
f344629a29
simplify
2020-07-16 17:31:54 -04:00
71f13cee9d
add missing aspherical particle info to restart files
2020-07-09 11:21:59 -04:00
04d7eacc2f
remove .c_str() in several places because it is no longer neede
2020-06-05 16:40:48 -04:00
f547d66104
Merge branch 'master' into more-fmtlib-and-string
...
# Conflicts:
# src/write_restart.cpp
2020-06-05 11:13:44 -04:00
ad76f5267b
whitespace fix
2020-06-05 08:54:41 -04:00
8ed32f95b3
simplify writing restarts a bit more
2020-06-05 07:31:39 -04:00
439eee3b86
get rid of BIGINT_FORMAT and use std::string.replace() to expand time step in data and restart file names
2020-06-04 21:38:00 -04:00
54a8b4e08b
more local buffers removed and file error status added.
2020-06-04 20:14:19 -04:00
3e36acc533
Merge branch 'master' into restart-consistency
...
# Conflicts:
# doc/src/fix_halt.rst
2020-03-18 20:30:00 -04:00
649a8cc01a
Fix typo
2020-03-14 13:57:48 +09:00
6fb42a42b8
check for I/O error before closing restart file
2020-03-09 17:42:00 -04:00
860e67873c
rename lmp_restart.h to lmprestart.h to avoid confusing it with lmp_<machine> files
2020-01-31 11:18:08 -05:00
c021a2d185
multiple consistency improvements for restart files
...
- make defines and enumerators automatically consistent by moving them to a shared header file
- change VERSION_NUMERIC to FORMAT_REVISION (and corresponding function names)
- new class member revision in ReadRestart class to allow backward compatibility
- step current FORMAT_REVISION to 1
- write the magic string a the end of each restart
- add a check, that skips to the end of a file and checks for the magic string and then returns
but do this only if FORMAT_REVISION is 1 or larger for backward compatibility
2020-01-31 10:49:59 -05:00
03418be645
minor tweaks to already processed files
2019-07-08 16:22:55 -04:00
256531a29a
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
17853aef20
modify restart changes, so it stays backward compatible and does not result in unexpected behavior when reading old restarts. also use consistent naming conventions for enum entries
2018-10-05 09:47:47 +02:00
7f8302b65b
replace extra_special with maxspecial in restarts
2018-10-04 22:08:43 -06:00
4d52cb9245
more buffer overflow avoiding through using snprintf()
2018-09-06 09:57:43 -04:00
783839e985
add support for restarting extra/XXX/per/atom settings in binary restarts
2018-07-16 15:21:52 -04:00
d8138a5b4c
move enum{IGNORE,WARN,ERROR) into Thermo class and use Thermo:: namespace to reference it
2018-05-09 18:11:31 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
c2c49395bd
write the name of a pair style to the restart even if it does not store data
2018-03-19 18:00:48 -04:00
3bc1c6b59e
Address bug in multifile restart writing with step number included
2018-02-01 14:25:55 +01:00
04ebd81ac5
minor whitespace cleanup
2017-06-06 17:26:18 -04:00
49dd9449b8
fix gcmc updates from Aidan, trimming of output for replica commands
2017-04-11 08:35:09 -06:00
579b61641e
Fixing restart error
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14893 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-04-26 23:00:32 +00:00
f70a764d5c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14860 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-04-22 15:55:54 +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
