|
|
08b44b59b0
|
Merge pull request #2776 from akohlmey/clang-tidy
Address issues detected by static code analysis with clang-tidy
|
2021-05-24 11:07:25 -04:00 |
|
|
|
a9427f20b2
|
Merge pull request #2770 from strlnkv/wall_region_morse_bug_fix
wall/region Morse potential derivative correction
|
2021-05-19 20:07:26 -04:00 |
|
|
|
b2641a4836
|
Merge pull request #2775 from akohlmey/tip4p-coulomb-warn
Print warning when a tip4p pair style may cause incorrect results
|
2021-05-19 20:06:05 -04:00 |
|
|
|
5aebbee564
|
coordinate -> site
|
2021-05-19 19:29:00 -04:00 |
|
|
|
0b8c82e906
|
use correct type for clang-tidy command options
|
2021-05-19 17:56:26 -04:00 |
|
|
|
e584a3b958
|
Must use explicit scope on virtual functions when called from constructor
|
2021-05-19 16:57:15 -04:00 |
|
|
|
cfb3efb50f
|
add cmake config option to enable clang-tidy with preferred options
|
2021-05-19 16:45:43 -04:00 |
|
|
|
a847a7ee9e
|
print warning when a tip4p pair style may cause incorrect results
|
2021-05-19 15:33:26 -04:00 |
|
|
|
32838fd4b8
|
Merge pull request #2773 from dynikon/master
Fix angle_style table doc
|
2021-05-18 16:31:15 -04:00 |
|
|
|
12baec203d
|
Merge pull request #2771 from akohlmey/collected-small-changes
CMake and documentation updates for USER-MDI
|
2021-05-18 15:07:16 -04:00 |
|
|
|
3ccac2d9cc
|
Merge pull request #2772 from stanmoore1/bugfix
Fix issues in last patch
|
2021-05-18 14:17:45 -04:00 |
|
|
|
c6991b20ca
|
fix angle_table doc
|
2021-05-18 13:26:13 +09:00 |
|
|
|
7ebed94df9
|
fix cut-n-paste bug
|
2021-05-17 18:14:21 -04:00 |
|
|
|
fb3fdb43a1
|
Tweak ASPHERE examples
|
2021-05-17 10:27:57 -06:00 |
|
|
|
cc99be900a
|
Fix memory leak in Kokkos memory grow() function
|
2021-05-17 10:13:56 -06:00 |
|
|
|
2f91b03c50
|
Small tweak
|
2021-05-17 09:52:50 -06:00 |
|
|
|
b0be5ea408
|
Merge branch 'bugfix' of github.com:stanmoore1/lammps into bugfix
|
2021-05-17 09:41:35 -06:00 |
|
|
|
5271854721
|
Fix dellocation issues
|
2021-05-17 09:41:14 -06:00 |
|
|
|
5ad84a0a49
|
Fix unitialized variable
|
2021-05-17 09:08:59 -06:00 |
|
|
|
640a46ec3f
|
Fix broken examples
|
2021-05-17 08:29:54 -06:00 |
|
|
|
333f0c0c2a
|
simplify some more
|
2021-05-15 23:01:59 -04:00 |
|
|
|
266b824b92
|
document -mdi command line flag
|
2021-05-15 22:30:14 -04:00 |
|
|
|
e4a24445c4
|
include USER-PACE in Windows package
|
2021-05-15 22:17:10 -04:00 |
|
|
|
017643cfa8
|
address various issues in USER-MDI.cmake for downloaded MDI library
|
2021-05-15 21:41:45 -04:00 |
|
|
|
d8d1f398cd
|
fix formatting issues
|
2021-05-15 18:12:16 -04:00 |
|
|
|
7a8cd4694a
|
document -mdi flag in help message
|
2021-05-15 18:12:03 -04:00 |
|
|
|
343fe6392b
|
wall/region Morse potential derivative correction
The 1/r part due to dr/dx is added further in post_force().
|
2021-05-15 23:54:42 +03:00 |
|
|
|
e04f4dde17
|
work around use of non-standard M_PI define in PACE external library
|
2021-05-15 16:39:59 -04:00 |
|
|
|
8062323b93
|
update presets to reflect recently added packages
|
2021-05-15 10:19:01 -04:00 |
|
|
|
e6178892c7
|
Merge pull request #2766 from akohlmey/next_patch_release
Step version strings for the next patch release
patch_14May2021
|
2021-05-15 01:13:41 -04:00 |
|
|
|
7d40eb3cac
|
fix issue with commands docs not being kept separate from programmer guide
|
2021-05-15 00:26:19 -04:00 |
|
|
|
492d82904f
|
add false positives
|
2021-05-14 23:51:43 -04:00 |
|
|
|
59cc481108
|
change config entry for post 3.5 sphinx versions and enable permalinks
|
2021-05-14 23:51:33 -04:00 |
|
|
|
9f4cca4981
|
correct index entries
|
2021-05-14 23:50:51 -04:00 |
|
|
|
c311574fe6
|
add missing fix entry
|
2021-05-14 23:50:38 -04:00 |
|
|
|
20de21f8de
|
Merge branch 'master' into next_patch_release
|
2021-05-14 23:39:25 -04:00 |
|
|
|
235e91a337
|
Merge pull request #2762 from akohlmey/prepare-clang-format
Prepare LAMMPS to support updating the coding style with clang-format
|
2021-05-14 23:23:35 -04:00 |
|
|
|
1ed75e3db0
|
fix buffer overflow in writing triclinic headers with MPI-I/O
|
2021-05-14 22:51:56 -04:00 |
|
|
|
6b80cb0169
|
whitespace
|
2021-05-14 20:47:08 -04:00 |
|
|
|
07cb55ef7f
|
Merge branch 'master' into prepare-clang-format
|
2021-05-14 20:43:51 -04:00 |
|
|
|
247edbcaa3
|
Merge pull request #2722 from lammps/kokkos_double_free
Avoid double free in some Kokkos pair styles destruction
|
2021-05-14 20:43:00 -04:00 |
|
|
|
d24d501a4a
|
Merge branch 'master' into prepare-clang-format
|
2021-05-14 20:38:54 -04:00 |
|
|
|
b23556e1a8
|
Merge pull request #2765 from masterleinad/fix_snap_kokkos_sycl
Fix compiling the SNAP module with Kokkos and SYCL
|
2021-05-14 20:31:53 -04:00 |
|
|
|
06f0a9207e
|
Merge pull request #2769 from lammps/neigh-copy-bug
fix bug with mis-indexing of neighbor build copyflag check
|
2021-05-14 19:16:56 -04:00 |
|
|
|
7fcd449864
|
apply clang-format to all headers with some exceptions
|
2021-05-14 19:16:07 -04:00 |
|
|
|
250fbd24a3
|
neighbor build check on copyflag mis-indexed
|
2021-05-14 16:06:56 -06:00 |
|
|
|
60e41a90c2
|
update new files for clang-format
|
2021-05-14 17:37:58 -04:00 |
|
|
|
7284a70900
|
Merge branch 'master' into prepare-clang-format
|
2021-05-14 17:25:24 -04:00 |
|
|
|
de025aec47
|
Merge pull request #2761 from rbberger/collected-small-changes
Collected small changes and fixes for the next patch release
|
2021-05-14 17:24:36 -04:00 |
|
|
|
79ebf387fe
|
Merge branch 'prepare-clang-format' of github.com:akohlmey/lammps into prepare-clang-format
|
2021-05-14 17:22:03 -04:00 |
|
