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
03099d6e54
some more include file consistency changes
2019-06-27 17:11:53 -04:00
6b09f6d490
bug fix for tiled communication at cutoffs near box size
2019-03-27 15:51:10 -06:00
d5594350c4
change zero-size shrink box to original box
2018-08-09 08:50:11 -06:00
d10a470245
second try to implement changes suggested in issue #888
...
In src/rcb.cpp:460 there is an if (smaller > largest).
now if we have one particle you will see that lo[] = hi[] and because
of this smaller == largest == 0 for all values of dim. This causes
this particular part of the code to never be run. In particular the
memcpy inside this if is never executed. This causes an unitialized
memory access in line 472. Additionally, dim is initialized with -1
and thus the accesses in 484 and 485 are problematic. Additionally,
valuehalf_select is never initialized either.
closes #888
2018-05-23 16:05:32 -04:00
71e1867dd2
move enum{LAYOUT_UNIFORM,LAYOUT_NONUNIFORM,LAYOUT_TILED}; to Comm class
2018-05-10 00:50:20 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
48509622fe
fix bug reported in issue #851
2018-03-26 11:51:00 -04:00
59dbb49cf9
remove trailing whitespace
2018-03-16 12:37:27 -04:00
841a92c7fa
remove unused variable
2017-07-28 16:03:24 -04:00
aa5ea95a0f
avoid integer overflow and remove unused function argument causing it
2017-07-26 11:55:50 -04:00
44841f6891
fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof
2017-03-23 15:31:27 -06:00
f871ecdc67
change to RCB cuts in load-balancing commands, also a new option for fix halt
2017-03-10 15:55:07 -07:00
