Commit Graph

36873 Commits

Author SHA1 Message Date
ee16f6503e update LAMMPS GUI code with PR 3890 content 2023-08-17 22:50:10 -04:00
84168fc84d use fastest zlib compression settings to reduce serial overhead when writing PNG images 2023-08-17 22:44:41 -04:00
8a5fd08fa1 update documentation for LAMMPS GUI v1.2 2023-08-16 03:42:12 -04:00
8944609419 make dark gray really dark gray 2023-08-16 02:58:56 -04:00
e90478e932 update 2023-08-16 02:42:41 -04:00
52c23785c5 fix error with C++17 in AWPMD package 2023-08-16 02:42:35 -04:00
088ff4ad27 update LAMMPS GUI to version 1.2 2023-08-16 02:38:07 -04:00
e32ae65aa1 add flag used by LAMMPS GUI 2023-08-16 02:24:45 -04:00
a5bf853c35 changes to make example script in ASPHERE/tri run 2023-08-15 23:50:53 -04:00
b0a1b58c68 update clang-format detection for compatibility with Debian 2023-08-14 18:49:39 -04:00
bdaf3c64a6 silence warning about a setting that was added to silence warnings 2023-08-14 12:06:09 -04:00
ccc478ad96 flag if we are cross-compiling 2023-08-14 11:55:40 -04:00
fadb210052 clean up all created files 2023-08-14 11:54:56 -04:00
c105a187d9 fix duplicate implicit reference
# Conflicts:
#	doc/src/Speed_kokkos.rst
2023-08-14 11:54:22 -04:00
d74f86f2cd indexing bugfix for compute global/atom 2023-08-14 11:50:23 -04:00
c5b35970dc disable *all* MPI-IO related testing 2023-08-14 11:50:12 -04:00
5626836995 disable MPI-IO based restart writing (for now) 2023-08-14 11:50:02 -04:00
53111f8c0e bugfix for pair style dpd/gpu from Trung 2023-08-14 11:47:49 -04:00
e0ca512f50 avoid legacy compilation failures on recent ubuntu machines that only have python3-config 2023-08-14 11:40:26 -04:00
e87bad43f9 flag maintenance branch 2023-08-03 14:26:47 -04:00
27d065a682 sync with develop stable_2Aug2023 2023-08-03 11:33:14 -04:00
f1dd7f1415 Merge tag 'patch_2Aug2023' into maintenance
LAMMPS feature release 2 August 2023
2023-08-03 11:14:29 -04:00
554db7daaf Merge pull request #3873 from akohlmey/next_patch_release
Step version strings for next release
patch_2Aug2023
2023-08-03 08:14:14 -04:00
dea8050a8a Merge pull request #3870 from akohlmey/lammps-gui
Add simple LAMMPS GUI using Qt library
2023-08-03 01:02:18 -04:00
3c24e4fbf3 fix typo 2023-08-02 23:53:32 -04:00
8d5343ea23 temporary skip showing broken temp file setting on macOS 2023-08-02 23:46:44 -04:00
3f1f08d4c0 add setting support for selecting the LAMMPS plugin shared object 2023-08-02 23:33:51 -04:00
2a82ed9494 add accelerators for tabs and layout tweaks 2023-08-02 21:36:04 -04:00
f6732f028c support running with Kokkos + OpenMP 2023-08-02 21:06:30 -04:00
91fdf6918d Merge pull request #3874 from lammps/perlmutter
Add missing path to Kokkos Perlmutter Makefile
2023-08-02 19:55:18 -04:00
07b36025e2 small doc fix from @sjplimp 2023-08-02 17:56:02 -04:00
6f6eb1dbb1 update TODO list 2023-08-02 17:54:40 -04:00
c800a2c676 add menu entry to reset to default settings 2023-08-02 17:52:56 -04:00
2808a78822 more updates to preferences dialog and supporting code. almost done. 2023-08-02 17:28:34 -04:00
498ca44310 Add missing path to Kokkos Perlmutter Makefile 2023-08-02 18:43:54 +00:00
97d406f2ff update TODO list with some new ideas 2023-08-02 13:53:31 -04:00
e493519c12 more hotkeys and have Ok/Cancel on preferences dialog handled properly 2023-08-02 11:05:35 -04:00
dfcd3f945e first pieces of preferences dialog 2023-08-02 07:02:20 -04:00
2711917a6e grammar 2023-08-02 07:01:30 -04:00
dfb614bd42 fix memory leak 2023-08-02 05:40:56 -04:00
56b50d6580 ensure final newline when saving to file 2023-08-02 05:37:56 -04:00
c918bdeb07 fix a couple of bugs that would hang the app waiting for log output 2023-08-02 05:25:24 -04:00
c99d0f5452 cmake cleanups 2023-08-02 04:58:38 -04:00
1fa2060175 Merge remote-tracking branch 'github/develop' into lammps-gui 2023-08-02 04:10:19 -04:00
8a53c66bef refactor. add LammpsWrapper class to hide plugin defines and interface changes. 2023-08-02 01:49:39 -04:00
57b6543886 Merge pull request #3859 from akohlmey/opencl-intel-single-fixes
Address GPU package issues with OpenCL on Intel GPU with single-only hardware (e.g. Xe)
2023-08-02 00:49:17 -04:00
310ede65d9 apply coding standard checks 2023-08-01 20:49:38 -04:00
f76300c4f8 do not build packages automatically but use explicit targets 2023-08-01 20:42:10 -04:00
22a9f869ea change version date 2023-08-01 18:39:42 -04:00
ea5a20afc5 add missing versionchanged tags 2023-08-01 18:39:20 -04:00