318556497f
refactor balance and fix balance to std::string to avoid buffer overflows
2023-12-02 09:32:53 -05:00
6b184e8079
copy-and-paste bugfix from @stanmoore1
2023-10-17 19:39:31 -04:00
17f39d9d2c
rename fix STORE/PERATOM to STORE/ATOM
2023-03-13 22:33:47 -04:00
3815c0ef76
modify fix STORE/PERATOM and callers to allow ghost comm
2023-03-13 17:00:54 -06:00
2af1949a92
whitespace
2023-03-06 13:42:45 -05:00
376c7899ab
add user option for performing message sorting during load balancing
2023-03-06 09:48:33 -07:00
27da716852
getting out of the insurance business :-)
2023-01-23 16:45:41 -05:00
b4118c51cc
merged in current master
2022-11-04 08:22:18 -06:00
5824534ac6
use symbolic constants Comm::BRICK / Comm::TILED for Comm::style
2022-10-27 07:03:25 -04:00
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
58800b5191
enable relancing to work with distributed grids
2022-08-11 13:28:50 -06:00
6c32058728
adapt all users of FixStore to use FixStoreGlobal or FixStorePeratom
2022-08-04 11:33:14 -04:00
d4ea5ca49e
more clang-tidy fixes after re-running it with added settings
2022-05-14 07:18:05 -04:00
200b4f13c7
use dynamic cast instead of c-style cast when casting from base type to derived class
2022-04-10 18:18:06 -04:00
c8512249b7
Merge branch 'develop' into modify-fix-compute-accessors
...
# Conflicts:
# src/PLUGIN/plugin.cpp
2021-10-27 21:14:05 -04:00
85433e8bd1
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
5b40e4cb38
new accessor APIs for fixes and computes in Modify plus a few applications
2021-10-16 06:00:28 -04:00
8b36061db4
replace MPI_Wtime() with platform::walltime()
2021-10-05 22:53:39 -04:00
1f1029486a
fix small bug
2021-09-15 20:13:54 -04:00
f01681eae7
use symbolic constant
2021-09-15 15:09:58 -04:00
898f8086db
consolidate binary() member functions of Comm and Balance into utils::binary_search()
2021-09-06 16:58:14 -04:00
68c15ebf04
refactor/simplify code due to changes in Modify
2021-08-07 10:09:06 -04:00
b8236c6402
improve error messages by printing unrecognized property
2021-06-08 11:19:21 -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
6b04ebd617
Merge branch 'master' into varargs-log-error-functions
2021-04-26 13:27:58 -04:00
e9e0bb71b6
Use varargs version of Error:all() and Error::one() where applicable
2021-04-25 21:30:51 -04:00
8541b0da3e
reduce compiler warnings by avoiding to redeclare variables so they shadow others
2021-04-23 15:35:45 -04:00
b53822da46
provide Command base class in command.h for deriving command styles from
2021-04-13 17:47:00 -04:00
2022dc0aa9
whitespace fixes
2020-12-18 22:45:26 -05:00
0f27ba34b0
whitespace
2020-11-30 13:33:09 -05:00
1769f1d3a1
separate cut planes by neigh skin for balance shift
2020-11-24 09:06:15 -07:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
0f6a34775c
Merge branch 'master' into symbolic-atom-constants
2020-09-15 17:44:31 -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
9d0c3bc665
replace some numeric constants in Atom and AtomVec classes with enumerators
2020-09-11 19:07:55 -04:00
6113169a47
IWYU based include statement cleanup
2020-09-02 17:39:34 -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
287112761c
tweak load balancing output format
2020-08-20 18:51:28 -04:00
729cc81f31
make more use of utils::logmesg()
2020-07-31 22:16:06 -04:00
2c3f9b111a
whitespace cleanup: replace tabs and remove trailing blanks
2020-07-29 21:36:24 -04:00
cb98fa00da
enable CommStyle tiled and load-balancing to work for triclinic
2020-07-29 14:30:49 -06:00
3cd1341e64
make more use of convenience functions for adding fixes and computes
2020-06-28 18:57:22 -04:00
91502b8bf6
more simplification
2020-06-26 16:22:19 -04:00
f547d66104
Merge branch 'master' into more-fmtlib-and-string
...
# Conflicts:
# src/write_restart.cpp
2020-06-05 11:13:44 -04:00
923e740872
get rid of more BIGINT_FORMAT macros
2020-06-04 22:07:47 -04:00
54a8b4e08b
more local buffers removed and file error status added.
2020-06-04 20:14:19 -04:00
c0fb794848
update load balancing output to use utils::logmesg() and {fmt}
2020-06-03 21:21:58 -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
