6442e05988
even more define to static constexpr conversions
2024-01-25 02:17:28 -05:00
cc2106397a
fix ids once bug in compute chunk/atom
2023-03-22 10:18:50 -06:00
17f39d9d2c
rename fix STORE/PERATOM to STORE/ATOM
2023-03-13 22:33:47 -04:00
3815c0ef76
modify fix STORE/PERATOM and callers to allow ghost comm
2023-03-13 17:00:54 -06:00
b4118c51cc
merged in current master
2022-11-04 08:22:18 -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
a0d859933c
Update from master
2022-10-12 09:49:55 -06:00
eeff6aa06c
make sure to always look up the region to avoid null pointer dereference
2022-10-01 13:35:02 -04:00
e2df4ed2a7
Merge branch 'develop' into distributed-grids
...
# Conflicts:
# doc/src/Developer_utils.rst
# doc/src/dump.rst
# doc/src/fix_ave_chunk.rst
# src/utils.h
2022-09-12 18:31:29 -04:00
7e6bd892ed
apply clang-format
2022-09-10 03:29:32 -04:00
ce4ca06035
support for density, mass, temperature values
2022-08-15 16:02:46 -06:00
6c32058728
adapt all users of FixStore to use FixStoreGlobal or FixStorePeratom
2022-08-04 11:33:14 -04:00
90797d53d9
one more batch of clang-tidy fixes
2022-05-13 23:21:14 -04:00
69d9c5187e
refactor group access, enable and apply clang-format
2022-04-15 15:29:43 -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
39b316729b
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
5b40e4cb38
new accessor APIs for fixes and computes in Modify plus a few applications
2021-10-16 06:00:28 -04:00
41a3eccd1c
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
68c15ebf04
refactor/simplify code due to changes in Modify
2021-08-07 10:09:06 -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
4fa5840f13
fix bug due to adding ArgInfo
2021-04-26 11:02:41 -04:00
8541b0da3e
reduce compiler warnings by avoiding to redeclare variables so they shadow others
2021-04-23 15:35:45 -04:00
5409a2a807
rearrange for better readability
2021-04-19 07:55:10 -04:00
101deae472
Removed error thrown when bound xxx upper is used
2021-04-19 10:19:44 +10:00
59c0325f08
simplify by using utils::strdup()
2021-03-18 20:22:08 -04:00
09e33fd342
fix bugs found by or avoid warnings from coverity scan
2021-02-26 15:55:20 -05:00
04a46bfd99
Merge remote-tracking branch 'github/master' into arg-info-class
2021-02-03 17:43:49 -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
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
d5e6bcd9d3
correctly check for index and dimensionality
2021-01-31 22:13:43 -05:00
48f15e485d
put consistent definition of INVOKED_* constants as enumerator into compute.h
2021-01-31 20:13:47 -05:00
03136ed3e3
two example cases of using the ArgInfo class
2021-01-30 00:51:06 -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
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
14321d1fa0
add option to compute chunk/atom to access the number of chunks as a global scalar
2020-07-03 22:19:44 -04:00
a5651acb49
must not forget to generate compute ids and store them.
2020-06-26 15:42:37 -04:00
1ea0eca2a5
add convenience functions to modify to simplify creation of fixes and computes
2020-06-26 14:49:53 -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
1fc3b4618c
remove dead code and silence compiler warnings
2018-11-15 16:50:56 -05:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
c58bc6fcba
Fixed pbc wrapping in case of spherical bins
2018-03-21 21:20:15 +03:00
59dbb49cf9
remove trailing whitespace
2018-03-16 12:37:27 -04:00
ee862d8bf5
replace leading tabs
2018-03-16 12:34:33 -04:00
b1d3b56a17
apply bugfix reported in issue #820
2018-03-02 04:33:13 -05:00
4210abfc79
bugifx for using compute chunk/atom with compress via rerun or right at the beginning of a run
2018-02-13 18:15:17 +01:00
