|
|
d31c040cb9
|
Merge branch 'develop' into bond/react-molmap_option
|
2025-01-04 18:05:59 -05:00 |
|
|
|
cd6ab17d36
|
Merge pull request #4427 from akohlmey/collected-small-changes
Collected small changes and fixes
|
2025-01-03 12:27:43 -05:00 |
|
|
|
bc30665689
|
update unit test for changes in units command error messages
|
2025-01-03 04:04:42 -05:00 |
|
|
|
1fcf1a7c56
|
add patch for customization of wham to support LAMMPS units
|
2025-01-02 19:39:02 -05:00 |
|
|
|
f7cea5e428
|
improve error messages
|
2025-01-02 19:38:10 -05:00 |
|
|
|
735606a0b5
|
document inclusion of WHAM
|
2025-01-02 18:03:56 -05:00 |
|
|
|
d87abc0d01
|
correct CMake script code for including WHAM executables in macOS app-bundle
|
2025-01-02 17:25:44 -05:00 |
|
|
|
399d7111d5
|
include WHAM software in LAMMPS-GUI compilation
|
2025-01-02 00:38:04 -05:00 |
|
|
|
8b32516b79
|
display a valid URL for the download location
|
2024-12-29 20:11:59 -05:00 |
|
|
|
78a897c1bf
|
check if a downloaded (solution) file is a symlink placeholder and put a copy of the original in its place
|
2024-12-29 17:22:07 -05:00 |
|
|
|
4d36a84738
|
add check whether libcurl support was compiled into LAMMPS and geturl is functional
|
2024-12-29 17:22:00 -05:00 |
|
|
|
9dbb9d356d
|
reformulate to avoid command-line
|
2024-12-29 12:05:07 -05:00 |
|
|
|
0bdaece1f0
|
add keyboard shortcut and context menu entry for jump to next warning
|
2024-12-29 11:35:44 -05:00 |
|
|
|
f6c0c73289
|
improve layout of warnings panel
|
2024-12-29 10:48:54 -05:00 |
|
|
|
7d67bcad22
|
compatibility with Qt 5.12 on Ubuntu 20.04LTS
|
2024-12-28 22:09:29 -05:00 |
|
|
|
d70b923c5a
|
update tutorial info texts from paper
|
2024-12-28 20:34:45 -05:00 |
|
|
|
73eeda3b1d
|
display panel with number or warnings and lines in output window, button for jumping to next warning
|
2024-12-28 18:44:44 -05:00 |
|
|
|
f50b5d63f3
|
combine the first two and the second two wizard pages into one page each
|
2024-12-28 12:38:52 -05:00 |
|
|
|
be9ace068a
|
show download progress in status line and progress bar
|
2024-12-28 12:38:45 -05:00 |
|
|
|
e5ee94a13c
|
add overloads for automatic string style conversions
|
2024-12-28 12:38:39 -05:00 |
|
|
|
bbef7e3eac
|
update TODO
|
2024-12-27 23:01:20 -05:00 |
|
|
|
211099b7ca
|
small updates and corrections to the LAMMPS-GUI howto
|
2024-12-27 22:57:51 -05:00 |
|
|
|
90d1e4d45f
|
add code paths for all 8 tutorial wizards. only descriptive text is missing.
|
2024-12-27 15:42:36 -05:00 |
|
|
|
9241f89582
|
avoid 32-bit integer overflow by reordering
|
2024-12-27 11:35:28 -05:00 |
|
|
|
f71fa8e94e
|
logo images for all 8 currently supported tutorials
|
2024-12-27 10:20:18 -05:00 |
|
|
|
916e5a81fb
|
more fix::init() checks and some clang-formatting for NH style classes
|
2024-12-27 08:44:02 -05:00 |
|
|
|
1d4e2d7867
|
another chunk of added/updated/modernized internal compute checks at Fix::init()
|
2024-12-27 04:18:01 -05:00 |
|
|
|
fb33541961
|
use command-line consistently where applicable and drop "line" where not
|
2024-12-27 04:03:41 -05:00 |
|
|
|
de0baba124
|
add updates/corrections, improve formatting
|
2024-12-27 03:50:51 -05:00 |
|
|
|
53c3fa2afd
|
memcpymask is a constant and thus should be uppercase
|
2024-12-27 01:54:44 -05:00 |
|
|
|
5ece81323e
|
suppress bogus compiler warnings about overflowing buffer size in memcpy()
|
2024-12-26 22:53:44 -05:00 |
|
|
|
48178ccc50
|
highlight error and warning messages in output window
|
2024-12-26 17:19:12 -05:00 |
|
|
|
5947e3e82c
|
use LAMMPS' warning function from Error class
|
2024-12-26 16:27:20 -05:00 |
|
|
|
f3cbf55d3c
|
update LAMMPS-GUI todo list
|
2024-12-26 16:26:51 -05:00 |
|
|
|
c78c53b36f
|
more checking on temperature and pressure computes plus bugfixes
|
2024-12-24 16:06:17 -05:00 |
|
|
|
77ab630080
|
update LAMMPS-GUI TODO list
|
2024-12-24 15:36:40 -05:00 |
|
|
|
f00addcfaf
|
Merge pull request #4422 from akohlmey/collected-small-changes
Collected small changes and fixes
|
2024-12-24 14:40:56 -05:00 |
|
|
|
fbba20fa89
|
validate that a non-temperature compute has not been replaced without fix_modify
|
2024-12-23 20:24:24 -05:00 |
|
|
|
210f7d7225
|
check that the internal pressure compute has not been manually replaced with a non-pressure compute without using fix_modify
|
2024-12-19 12:08:21 -05:00 |
|
|
|
f06c4daee0
|
make format style variable tests unambiguous for rounding issues
|
2024-12-19 11:09:36 -05:00 |
|
|
|
aadc87279d
|
Merge branch 'fix-doc-gpu-typo' of https://github.com/DanielYang59/lammps into collected-small-changes
|
2024-12-19 08:35:47 -05:00 |
|
|
|
74cf599778
|
work around bug in FindVTK.cmake shipped with VTK 9.1 (and possibly other versions)
|
2024-12-19 08:32:34 -05:00 |
|
|
|
bf10fcd2f5
|
fix GPU build typo
|
2024-12-19 21:17:01 +08:00 |
|
|
|
aeb2190582
|
Merge pull request #4404 from abkein/experimental
Marked multitype's default constructor as noexcept
|
2024-12-17 15:22:33 -05:00 |
|
|
|
67a8120c44
|
Merge pull request #4403 from akohlmey/collected-small-changes
Collected small changes and fixes
|
2024-12-17 15:17:28 -05:00 |
|
|
|
faab36cbd0
|
Merge branch 'develop' into collected-small-changes
|
2024-12-17 10:39:55 -05:00 |
|
|
|
fe77596099
|
cosmetic
|
2024-12-17 10:39:24 -05:00 |
|
|
|
4bdf6b0e2e
|
make consistent
|
2024-12-17 10:39:18 -05:00 |
|
|
|
8ee83bc926
|
Merge pull request #4391 from weinbe2/feature/snap-unify-codepaths
SNAP/Kokkos CPU+GPU code unification and other optimizations
|
2024-12-16 23:09:16 -05:00 |
|
|
|
8daad30ae1
|
Re-enable Kokkos OpenMP and Serial code paths for SNAP
|
2024-12-16 11:07:47 -07:00 |
|
