9e241df062
Merge pull request #4182 from akohlmey/group-bitmap-accessor
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Refactor code to use group bitmap accessor
2025-03-25 14:12:27 -04:00
ca5015eaea
correct compute argument count check, avoid segfault
2025-02-14 16:55:09 -05:00
3e4a50fe63
remove backward compatibility for compute_modify extra and compute_modify dynamic
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Now extra/dof and dynamic/dof are required
2025-01-23 04:52:05 -05:00
b016b135fa
added Compute::modify_param() function.
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This way individual computes can add custom keywords to compute_modify in
a similar fashion as fixes
2025-01-23 04:51:12 -05:00
a0939c4fcc
use new bitmap accessor function and simplify code
2024-06-01 17:57:31 -04:00
dc04a2ec5a
for vectors we have to check for either extvector or extlist
2024-04-22 21:22:24 -04:00
a88e8757e3
guard against not setting extscalar, extvector, or extarray when required
2024-04-22 19:55:52 -04:00
8a9dfe8d11
silence compiler warning
2024-02-01 12:30:43 -05:00
12422ff510
replace defines with static constexpr declarations
2024-01-21 15:53:35 -05:00
8b89c330e6
make removed DOF computation large system compatible
2024-01-10 15:32:02 -05:00
6c6258371b
add init_flags() and is_initialized() methods
2023-07-20 20:31:16 -04:00
56f791eec2
avoid uninitialized data access for scalar data
2023-05-01 23:52:35 -04:00
b4118c51cc
merged in current master
2022-11-04 08:22:18 -06:00
b6e29fd5d7
debugging of grid remap
2022-10-27 16:40:53 -06:00
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
7e2fef096f
use accessor function to get and process list of fixes
2022-03-16 14:18:09 -04:00
41a3eccd1c
apply utils::logical() to more commands
2021-09-21 07:48:50 -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
fab571cf6b
IWYU reported header updates
2021-04-13 00:47:49 -04:00
59c0325f08
simplify by using utils::strdup()
2021-03-18 20:22:08 -04:00
48f15e485d
put consistent definition of INVOKED_* constants as enumerator into compute.h
2021-01-31 20:13:47 -05:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
f1ef7d85a8
T2345: Replace instances of NULL with nullptr
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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
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()
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this also removes the now obsolete functions from Force
2020-08-29 20:31:02 -04:00
c505058c5c
Add flag for Kokkos computes
2020-02-24 15:43:29 -07:00
7967cb1133
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
4ec3a508fc
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
59dbb49cf9
remove trailing whitespace
2018-03-16 12:37:27 -04:00
44841f6891
fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof
2017-03-23 15:31:27 -06:00
ae5764beac
added functionity to lib interface
2016-12-13 16:22:17 -07:00
beb5a30f67
new compute global/atom command, also bug fix for descending dump sorts
2016-11-30 14:01:27 -07:00
c46be7db62
changes to imbalance weight factors
2016-10-05 10:33:39 -06:00
2993aec312
sync with Git
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15519 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-29 22:52:03 +00:00
596d6840a5
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15334 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-16 22:14:09 +00:00
a2782baa64
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15324 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-15 22:47:23 +00:00
eec4d961c0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15291 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-12 22:59:27 +00:00
50ac419d3f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15159 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-08 23:15:55 +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
546186739c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14064 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-09-24 20:34:59 +00:00
6106843d57
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13467 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-05-15 16:51:23 +00:00
269bff4b14
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13344 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-31 18:47:58 +00:00
bd37304ade
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13332 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-30 23:17:06 +00:00
8f818715f4
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13098 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-02-13 16:53:48 +00:00
e1cd500a21
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13008 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-01-30 18:51:56 +00:00
86daf16069
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12996 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-01-28 15:55:56 +00:00
e72afc5488
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12955 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-01-19 23:38:26 +00:00
