Commit Graph

36923 Commits

Author SHA1 Message Date
c521d54f85 Fix compile error 2023-10-03 10:58:22 -06:00
ff23da1c97 Switch order 2023-10-03 10:28:08 -06:00
367d0ac905 Add support for FLUX 2023-10-03 10:07:52 -06:00
e840d422ef Use a_f to be consistent 2023-10-03 10:07:41 -06:00
49f08e6231 Merge pull request #3924 from akohlmey/collected-small-changes
Collected small changes and fixes
2023-09-28 14:18:40 -04:00
18f48a5e7c Recognize Windows 11 23H2 2023-09-27 18:00:19 -04:00
5a455c5e3a remove redundant calls to fmt::format() from calls to error->one/all() and utils::logmesg() 2023-09-26 23:56:51 -04:00
6115edefcb remove redundant use of fmt::format() 2023-09-26 23:34:56 -04:00
6141d8d08c gracefully handle some older ReaxFF force field files without overcorrection parameter 2023-09-26 23:29:59 -04:00
7c3a95240e print more specific error messages when parsing ReaxFF force field files 2023-09-26 23:29:22 -04:00
afa8501d20 recognize STL files starting with "solid binary" as binary files 2023-09-22 07:51:58 -04:00
12acd346b7 plug memory leak 2023-09-22 07:51:16 -04:00
fb55fc3277 we don't need a lattice for creating atoms from a STL mesh 2023-09-22 07:51:07 -04:00
70d6518eac minor updates for using presets. mention macos multi-arch preset 2023-09-21 19:10:36 -04:00
c3cc4974d1 silence uninitialized access valgrind warning 2023-09-21 07:33:03 -04:00
75682ffbca Merge pull request #3922 from arghdos/fix_for_rocm_60
Apply fix for hipfft paths in ROCm >= 6.0
2023-09-19 10:43:19 -04:00
e52eb81839 make use of std::swap() 2023-09-18 16:51:19 -04:00
7467a058ee Apply fix for hipfft paths in ROCm >= 6.0 2023-09-18 11:21:02 -05:00
3e9f1c8af2 Merge pull request #3919 from akohlmey/collected-small-fixes
Collected small fixes and updates
2023-09-16 07:19:25 -04:00
6d12800a0d make the GUI update interval a configurable option in the preferences 2023-09-14 10:39:57 -04:00
232e57a949 fix cut-n-paste issue 2023-09-14 00:27:35 -04:00
88b9aa62b7 forgot to rename files in KOKKOS/Install.sh 2023-09-13 17:27:30 -04:00
ae7945bd99 add missing newline 2023-09-13 15:56:49 -04:00
d198a9314f reorder to have sections in alphabetical order again 2023-09-13 15:55:23 -04:00
822ad5b866 change refereces to lib/smd and smd to lib/machdyn and machdyn 2023-09-13 15:51:41 -04:00
5d0bbeb257 Merge branch 'develop' into collected-small-fixes 2023-09-13 08:57:32 -04:00
c82e7b16bd Merge pull request #3915 from Architect0rr/develop
Initialize ADIOS dumps only the first time when used in multiple runs (for custom/adios dump style)
2023-09-13 08:54:40 -04:00
e230220c13 remove dead code 2023-09-12 02:44:58 -04:00
d0f0bdd695 remove deprecated register storage class 2023-09-11 17:37:32 -04:00
2839ce334e disable neighbor list trimming by default for REBO pair styles for now 2023-09-10 10:25:03 -04:00
3c1586878a reorder include files 2023-09-08 15:36:30 -04:00
2319f98987 update docs with settings for building tools with CMake 2023-09-08 11:42:35 -04:00
5235d7e434 there is no "thermo_extract" tool (anymore) 2023-09-08 11:42:35 -04:00
da1db776b6 update some tables and comments for the current state of LAMMPS 2023-09-08 11:42:35 -04:00
8bde9ffd53 silence compiler warning 2023-09-08 11:42:34 -04:00
400bb426b8 Merge pull request #3912 from akohlmey/tab-reformat-completion
Add reformatting of line and command completion to LAMMPS GUI
2023-09-08 11:40:47 -04:00
f8e65b19a2 add completion for compute and fix ID references 2023-09-08 10:43:31 -04:00
778263673c add completion for variables and variable references 2023-09-08 08:57:17 -04:00
f293c5dd87 don't add the same group name twice 2023-09-08 08:38:54 -04:00
f726a54f27 detect and highlight strings in more places 2023-09-08 08:37:48 -04:00
ecc68c2f0c fix typo 2023-09-08 00:26:22 -04:00
1d851a6cff fix some spelling issue. Start auto-complete after 2 characters 2023-09-07 23:53:21 -04:00
2d76f9e4ac add completion for group id 2023-09-07 18:02:02 -04:00
fea91c0583 edits to LAMMPS GUI howto page 2023-09-07 12:16:07 -06:00
a1ddf68e5c also delete log and chart window when loading a new file 2023-09-07 10:06:11 -04:00
71a6f5b827 some small clarifications 2023-09-06 23:51:35 -04:00
34179d2cf9 Merge branch 'develop' into tab-reformat-completion 2023-09-06 23:40:10 -04:00
595f2db72f Merge pull request #3914 from lammps/dependabot/github_actions/actions/checkout-4
Bump actions/checkout from 3 to 4
2023-09-06 12:01:49 -04:00
17aa458c26 delete image viewer window when loading new file 2023-09-06 00:28:05 -04:00
2c0ff19528 allow calling lammps_last_error_message() with a NULL buffer to clear the error 2023-09-06 00:27:46 -04:00