61fd2ba25c
apply clang-format to have some files with changes
2024-08-22 11:40:26 -04:00
12422ff510
replace defines with static constexpr declarations
2024-01-21 15:53:35 -05:00
7dbd649683
fix cut-n-paste bug
2023-11-27 05:31:30 -05:00
b4e7d5f0b9
fix whitespace (again)
2023-08-23 20:11:32 -04:00
e6b98f5942
fix logic issue in compute reduce
2023-08-23 09:47:36 -06:00
71ca6ee47c
fix one more example input script
2023-08-22 16:02:28 -06:00
7d9c068da0
whitespace
2023-08-22 11:50:54 -04:00
299eda8ca3
have compute_reduce require either peratom or local inputs
2023-08-17 16:12:14 -06:00
7e4d180e57
silence compiler warnings
2023-04-15 22:00:42 -04:00
4e33b1b867
Fix implementation of absmax
2023-04-12 09:28:15 +02:00
7a32152ee5
Implement maxabs and minabs atom reduction operations
2023-04-12 09:28:04 +02:00
a3c0be875e
include-what-you-use updates
2022-12-11 22:46:54 -05:00
d96bfcdf06
Merge branch 'develop' into refactor-testing
2022-10-24 20:07:58 -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
c312bf97ae
convert fix store/state
2022-10-14 07:29:04 -04:00
0fc8475383
refactor compute reduce and compute reduce/region
2022-10-14 07:29:04 -04:00
af32267db3
Merge branch 'develop' into compute-abs-sum
2022-05-04 12:23:50 -04:00
0e5a66b1cd
Implement a aveabs and sumabs reduce command
2022-05-02 17:34:08 +02:00
69d9c5187e
refactor group access, enable and apply clang-format
2022-04-15 15:29:43 -04:00
6d070c7043
more use of modernized APIs
2022-03-16 15:24:42 -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
826c618aa9
replace a few more cases of atoi()/atof() with utils::*numeric() functions
2021-02-21 15:09:50 -05:00
95e2214d96
more typecasts to double to avoid 32-bit int overflows when computing memory usage
2021-02-04 14:35:38 -05:00
c2c8c5e493
Merge remote-tracking branch 'github/master' into arg-info-class
...
# Conflicts:
# src/compute_chunk_atom.cpp
# src/compute_chunk_spread_atom.cpp
# src/compute_reduce.cpp
# src/compute_reduce_region.cpp
# src/compute_slice.cpp
# src/fix_ave_atom.cpp
2021-02-02 11:33:01 -05:00
99184eb653
correctly use index and dim
2021-01-31 22:06:06 -05:00
0f49ce81c7
convert some more files
2021-01-31 21:47:55 -05:00
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
...
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
741a1d1fc9
move Input::expand_args() to utils::expand_args()
2020-08-29 18:32:10 -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
378474c4e6
more include file cleanup suggested by IWYU
2019-06-28 02:07:18 -04:00
e8d56d3ea6
revert broken changes to compute reduce
2019-02-14 16:22:52 -05:00
0fe5b6c34c
apply cfvarg() function to compute reduce
2019-02-01 12:23:06 +01:00
5b0c43108d
detect missing initialization and run it instead of crashing with a non-descript segfault
2018-12-12 16:39:27 -05:00
c4c5f9a32e
2 new computes: chunk/spread/atom and reduce/chunk
2018-08-31 13:44:49 -06:00
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
8756a1017d
Kokkos updates by Stan
2016-11-17 08:58:22 -07:00
2993aec312
sync with Git
...
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
6c8d3ed4e8
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15463 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-09 14:10:55 +00:00
550be1d512
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15462 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-08 19:41:43 +00:00
056ff192c6
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15459 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-08 13:47:55 +00:00
98aee05152
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15418 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-01 21:30:11 +00:00
0995ab4b65
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15415 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-01 20:55:29 +00:00
