3e9bb99daa
Merge branch 'develop' into collected-small-changes to resolve merge conflicts
2022-12-19 12:42:09 -05:00
b6c7d24b6d
do not accept kspace style accuracy values > 1.0, improve error message
2022-12-17 21:35:44 -05:00
cc18528ea1
more bookkeeping changes
2022-11-30 10:56:54 -07:00
cd5d41868f
remove debug statements
2022-11-09 09:54:04 -07:00
e16aed28b6
debug
2022-11-09 09:20:19 -07:00
90b54300e9
remove whitespace
2022-11-07 16:18:40 -07:00
b4118c51cc
merged in current master
2022-11-04 08:22:18 -06:00
8af384243f
support for more caller options in Grid2d/3d
2022-11-02 15:01:58 -06:00
7346aee4ad
logic for all callers to use new Grid3d/Grid2d
2022-11-02 11:46:26 -06:00
d75fd564a1
update grid2d to match grid3d
2022-11-01 16:11:14 -06:00
4c29457351
more classes use Grid3d
2022-11-01 15:53:39 -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
d67eed7e43
enable triclinic for fix ave/grid
2022-08-29 16:46:26 -06:00
58800b5191
enable relancing to work with distributed grids
2022-08-11 13:28:50 -06:00
e2352bc65e
grid class name changes
2022-07-18 17:24:40 -06:00
39b316729b
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
d750ef4890
simplify
2022-02-10 20:39:36 -05:00
e94854d54f
always initialize arrays with extra grid points for non-periodic to support switching with change_box
2022-02-10 15:57:41 -05:00
9b1a267d85
fix another memory grid deallocation bug. delete before number of levels changes
2022-02-10 15:32:07 -05:00
ab1e68eb42
fix memory access bug with changing box volume/grid
2022-02-10 14:41:25 -05:00
1c8f427e8a
detect when MSM::setup() is called before proper initialization and error out
2022-01-18 09:09:19 -05:00
29b5c2659c
source code formatting
2022-01-18 09:04:04 -05:00
752552e0f8
remove duplicate code
2022-01-18 06:39:20 -05:00
a02e11040d
whitespace
2022-01-18 06:34:57 -05:00
f0f4a8e6dc
plug some memory leaks in MSM kspace style(s)
2022-01-18 06:01:32 -05:00
3d34ee5087
Merge branch 'master' into fix-ttm-grid
2021-08-24 11:34:27 -06:00
4e715da2f3
Merge branch 'grid-adjust' of github.com:lammps/lammps into grid-adjust
2021-08-23 14:57:12 -06:00
d8f0cec031
updates/bug-fixes to parallel fix ttm/grid
2021-08-20 16:57:20 -06:00
29fe006e46
fix issue in non-perioidic msm.cpp to allow it to work with any grid partitioning
2021-08-20 12:43:47 -06:00
d4de26f6ef
fix whitespace issues
2021-08-19 17:28:48 -04:00
2119b59d97
code documentation tweaks
2021-08-18 15:49:23 -06:00
1c5bdadcfb
small alteration to code that assigns grid pts to procs
2021-08-18 15:43:54 -06:00
09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
d8291eea7b
Merge branch 'master' into prepare-clang-format
...
# Conflicts:
# src/MOLECULE/bond_fene.h
# src/MOLECULE/bond_fene_expand.h
2021-05-11 21:49:48 -04:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
22e93468d6
simplify code by appling varargs messages and warnings
2021-05-05 18:19:12 -04:00
f92e07185b
initialize arrays for per-level gridcomm buffers to NULL
2021-02-09 13:21:04 -05:00
56ae498814
reduce memory leakage in kspace style msm
2021-02-08 17:27:54 -05:00
e2e6639013
add typecast to avoid (unlikely but possible) integer overflows.
...
this will silence a lot of static code analysis warnings
2021-02-02 17:27:04 -05:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
cebf6d33ba
Merge pull request #2358 from eagunn/iss2345
...
Replace instances of NULL with nullptr
2020-09-15 17:41:24 -04:00
3dd3c6a2a5
redo fix for class member shadowing while avoiding overflowing levels
2020-09-15 14:48:55 -04:00
16749566f8
Revert "fix issue with local variable shadowing a global variable"
...
This reverts commit 3368eb79d8
2020-09-15 14:42:00 -04:00
326d9f398c
Merge branch 'master' into iss2345
2020-09-15 14:06:16 -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
3368eb79d8
fix issue with local variable shadowing a global variable
2020-09-12 11:10:12 -04:00
d7500c3e5a
MSM output format tweaks
2020-09-12 11:09:33 -04:00
55704368d0
include updates for commonly used packages
2020-09-03 01:45:05 -04:00
