Commit Graph

26554 Commits

Author SHA1 Message Date
fdfa761f45 update mesont fortran library sources 2021-05-24 15:53:44 -04:00
e7ed20d307 hack to allow processing individual files. handle a few more substitutions 2021-05-24 15:53:21 -04:00
63ecb77303 fix some more URLs 2021-05-24 15:38:27 -04:00
73195677a5 don't export security statement to source snapshots 2021-05-24 15:34:47 -04:00
825182d06c fix typo. closes #2779 2021-05-24 15:33:48 -04:00
5eb818a02b the manual, especially the PDF version, has 3 parts 2021-05-24 14:44:47 -04:00
0a6401fb7b add missing colon 2021-05-24 14:39:39 -04:00
e4b3d8b632 correct table formatting that got broken by changing URLs 2021-05-24 14:38:03 -04:00
3f963ce249 update README/docs about generating the manual and accessing it online 2021-05-24 14:33:00 -04:00
09c19a936b update URLs in source code and manual 2021-05-24 14:18:20 -04:00
9bafefb4df Merge branch 'master' into update-homepage-url 2021-05-24 14:05:04 -04:00
a0352433c0 Merge pull request #2777 from akohlmey/collected-small-changes
Collected small changes and fixes
2021-05-24 11:48:04 -04:00
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
0b538b1922 add tool to fix LAMMPS homepage URLs 2021-05-23 19:49:32 -04:00
53164321c9 silence CMake warnings with CMake 3.19 and later when cross compiling 2021-05-23 03:37:58 -04:00
ba854ec7c3 changes required to cross-compile unit tests for windows 2021-05-23 01:46:14 -04:00
d5f62a22b8 64-bit integers are "long long" on windows, not "long" (which is 32-bit) 2021-05-23 00:53:40 -04:00
bf2d1db49d PGI compiler can handle restrict and aligned attributes 2021-05-22 21:28:39 -04:00
d9bcbe0e42 fix null pointer dereferences due to typos 2021-05-22 19:16:36 -04:00
5c99669897 silence PGI compiler warnings 2021-05-22 19:09:01 -04:00
d2fe5e6ec8 include compiler optimization with certain build types when using presets 2021-05-22 18:35:56 -04:00
c0d13d064c since the new Intel compiler is LLVM based the _noalias macro needs to be defined like for GNU and Clang 2021-05-22 18:35:15 -04:00
7ba0d553e4 correct C++ standard dependency of Kokkos in Package details summary 2021-05-22 18:34:33 -04:00
0737e014f3 update code owners file 2021-05-22 13:51:55 -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