|
|
ef4e41d2a2
|
programming style and format updates
|
2022-04-12 22:52:07 -04:00 |
|
|
|
467cae9436
|
permissions
|
2022-04-12 18:43:47 -04:00 |
|
|
|
09b08ecd85
|
whitespace
|
2022-04-12 18:36:51 -04:00 |
|
|
|
8c153adceb
|
spelling
|
2022-04-12 18:36:16 -04:00 |
|
|
|
f64d405ad8
|
Fixing remaining errors/warnings in doc build
|
2022-04-12 15:59:38 -06:00 |
|
|
|
ca37c01476
|
Fixing broken links/references in documentation
|
2022-04-12 13:36:39 -06:00 |
|
|
|
929e46b5c7
|
remove dead code
|
2022-04-12 11:06:28 -04:00 |
|
|
|
e1a2423f2e
|
modernize, initialize pointers, apply clang-format
|
2022-04-12 11:06:18 -04:00 |
|
|
|
49aebf64b9
|
include BPM package in multiple presets
|
2022-04-11 12:41:28 -04:00 |
|
|
|
9d907e31b3
|
recover compilation
|
2022-04-11 12:40:59 -04:00 |
|
|
|
36723853c9
|
Merge branch 'develop' into BPM
|
2022-04-11 12:18:34 -04:00 |
|
|
|
236d275b2f
|
Merge pull request #3211 from akohlmey/collected-small-changes
Collected clang-tidy updates
|
2022-04-11 11:07:00 -04:00 |
|
|
|
b36262cd11
|
cosmetic
|
2022-04-10 20:47:42 -04:00 |
|
|
|
d6f7570d57
|
avoid redundant use of boolean literals
|
2022-04-10 20:47:31 -04:00 |
|
|
|
74f2b67b1a
|
no if statement required before delete[]
|
2022-04-10 19:55:24 -04:00 |
|
|
|
3eec2eec9a
|
make buffer size a compile time constant and use strncpy() instead of strcpy()
|
2022-04-10 18:33:17 -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 |
|
|
|
6071376d42
|
derive ATC_Error exception class from std::exception
|
2022-04-10 15:25:37 -04:00 |
|
|
|
413a01ade5
|
apply clang-tidy updates
|
2022-04-10 12:07:54 -04:00 |
|
|
|
1a2d83ab01
|
HDF5 library may be parallel which is an error with serial LAMMPS
|
2022-04-10 12:07:54 -04:00 |
|
|
|
c54fe7d97d
|
small update
|
2022-04-10 08:00:47 -04:00 |
|
|
|
85b69000cd
|
revert to use NULL instead of nullptr, so that it compiles without having to enable c++11 compatibility
|
2022-04-09 20:54:59 -04:00 |
|
|
|
ddf67ec42d
|
properly use nullptr on pointers (with a little help from clang-tidy)
|
2022-04-09 20:27:40 -04:00 |
|
|
|
07bc76871c
|
avoid unsafe strcpy()
|
2022-04-09 19:01:42 -04:00 |
|
|
|
4e81adaf8c
|
make buffer size for text file reader adjustable
|
2022-04-09 17:46:47 -04:00 |
|
|
|
fcd3e76767
|
skip unsupported unit tests
|
2022-04-09 17:45:38 -04:00 |
|
|
|
71f8e11d70
|
join multi-line strings
|
2022-04-09 07:45:01 -04:00 |
|
|
|
c04db4b545
|
modernize
|
2022-04-09 07:01:42 -04:00 |
|
|
|
e0c4f6164e
|
silence compiler warnings
|
2022-04-09 07:01:35 -04:00 |
|
|
|
8ce2ce8fd4
|
remove unused import
|
2022-04-09 04:02:01 -04:00 |
|
|
|
a71bf4cae5
|
Merge pull request #3207 from lammps/remove-message-package
remove MESSAGE package
|
2022-04-09 03:20:26 -04:00 |
|
|
|
8dce9f7a60
|
install pyyaml
|
2022-04-09 00:39:50 -04:00 |
|
|
|
6c87962551
|
fix remaining doc build issues
|
2022-04-09 00:39:27 -04:00 |
|
|
|
674d2a6788
|
Merge branch 'develop' into remove-message-package
|
2022-04-09 00:25:11 -04:00 |
|
|
|
8b53ff9383
|
Merge pull request #2921 from lammps/mdi-expand
Enhance MDI support in LAMMPS in its MDI package
|
2022-04-09 00:18:50 -04:00 |
|
|
|
22122092e4
|
Merge pull request #3206 from akohlmey/add-kimplugin
Add kimplugin source and CMake based build support
|
2022-04-08 23:09:13 -04:00 |
|
|
|
d0d4bbf5ae
|
Merge pull request #3196 from akohlmey/avoid-bigint-format-scanf
Refactor code to avoid XXXINT_FORMAT defines and xxscanf() function calls
|
2022-04-08 21:24:57 -04:00 |
|
|
|
5ff42d8993
|
simplify
|
2022-04-08 21:21:36 -04:00 |
|
|
|
81933b7972
|
silence compiler warnings
|
2022-04-08 21:19:32 -04:00 |
|
|
|
f3685fa8de
|
fix bugs
|
2022-04-08 21:18:55 -04:00 |
|
|
|
375062d02c
|
restore modern API usage
|
2022-04-08 21:18:28 -04:00 |
|
|
|
093667799d
|
Merge branch 'develop' into mdi-expand
|
2022-04-08 20:58:53 -04:00 |
|
|
|
1cc913d006
|
Merge pull request #3205 from akohlmey/dump-style-yaml
Add dump style yaml
|
2022-04-08 20:55:01 -04:00 |
|
|
|
8cdce34b27
|
Merge branch 'develop' into dump-style-yaml
|
2022-04-08 18:42:28 -04:00 |
|
|
|
6849356d63
|
fix spelling, formatting, and cross-link/indexing issues
|
2022-04-08 18:35:51 -04:00 |
|
|
|
530d8c007d
|
minor tweak
|
2022-04-08 18:09:10 -04:00 |
|
|
|
521d45dcc6
|
remove MESSAGE package from CMake
|
2022-04-08 18:00:36 -04:00 |
|
|
|
fbc55937fe
|
Merge pull request #3198 from bathmatt/pair-dpd
DPD-BASIC kokkosification
|
2022-04-08 17:48:28 -04:00 |
|
|
|
dff3bc5656
|
Merge branch 'develop' into avoid-bigint-format-scanf
|
2022-04-08 17:39:25 -04:00 |
|
