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
7dd60f9737
Fix typos in src files
2017-03-05 21:03:40 -05:00
02bfa898ee
adjustments to balancing weights and factors, also XOR op for formulas, if, dump_modify thresh
2016-10-05 15:46:20 -06:00
b66039b8bb
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15653 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-09-27 16:43:18 +00:00
43633180eb
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15651 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-09-27 15:08:34 +00:00
d55f968432
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-17 23:48:15 +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
047be536bc
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13983 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-09-02 20:39:55 +00:00
7f8f2fd3ed
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12752 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-11-20 18:02:47 +00:00
f14e5cdce6
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12714 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-11-18 00:15:46 +00:00
ac246386d0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12449 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-09-09 15:01:58 +00:00
b7e6d76f38
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12286 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-08 20:36:32 +00:00
c1e12f9508
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12285 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-08 17:55:44 +00:00
0e4940441e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12262 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-06 20:56:34 +00:00
cb9c3fbd11
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12251 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-05 22:34:08 +00:00
5ac9e9a785
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12239 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-01 19:15:50 +00:00
8047d6058e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12223 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-07-29 21:46:50 +00:00
4455b66003
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12207 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-07-28 19:58:51 +00:00
6c06a66ae7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11978 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-13 15:23:13 +00:00
