63aa467959
add support of computing B-grads (and C-tilde grads)
2023-10-04 12:32:24 +02:00
35640dd72e
use event filter to bypass default shortcuts that conflict with our custom ones
2023-10-04 06:29:39 -04:00
8af3aef734
Fixes #3925 in region_ellipsoid.cpp
2023-10-04 10:04:45 +03:00
ed631ecd44
add button to reset zoom/pan of chart viewer
2023-10-03 22:36:00 -04:00
a3c843f590
add support for shortcuts CTRL-/ (stop run) and CTRL-Q (quit) to most windows
2023-10-03 21:14:11 -04:00
6ff7050d2d
enforce that the number of threads is properly reset for /omp styles
2023-10-03 19:47:34 -04:00
02b9bdd639
fix uninitialized data access
2023-10-03 17:49:55 -04:00
b3008e3329
fix delete / delete[] mismatch
2023-10-03 17:49:44 -04:00
f9f33ce1b6
Fix issues with Kokkos fix property/atom
2023-10-03 15:41:35 -06:00
6a43ca8410
reset number of threads to 1 when using no accelerator or opt
2023-10-03 16:13:59 -04:00
75050b8920
get upper thread limit from Qt so we can raise the number of threads
2023-10-03 15:40:06 -04:00
6da8fff08c
Fix bug with dynamic groups
2023-10-03 13:35:50 -06:00
18a69873f8
add keyboard shortcut for saving log to file
2023-10-03 15:23:52 -04:00
5302e39f69
avoid segfaults when accessing lammps_last_thermo()
2023-10-03 14:35:48 -04:00
bb01afc498
provide default file name when writing log window text to file
2023-10-03 14:18:17 -04:00
4bbaebda16
Revert ineffectual change
2023-10-03 12:09:23 -06:00
9f612e6ef3
Merge branch 'kk_flux' of github.com:stanmoore1/lammps into kk_flux
2023-10-03 12:07:46 -06:00
f57e5d975c
Fix harmless compiler warnings
2023-10-03 12:07:28 -06:00
c521d54f85
Fix compile error
2023-10-03 10:58:22 -06:00
ff23da1c97
Switch order
2023-10-03 10:28:08 -06:00
918705ce2f
refactor CSV format output
2023-10-03 12:10:44 -04:00
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
b5dae4024a
tweak output format for gnuplot data export
2023-10-03 12:02:56 -04:00
37c1bfafa3
remove unused class member
2023-10-02 18:30:47 -04:00
5db01aa989
BUGFIX: correctly render the currently selected chart when exporting to image files
2023-10-02 18:19:27 -04:00
77d0475fb7
update TODO file
2023-10-01 11:46:16 -04:00
e7b9bc2d4f
update docs
2023-09-29 18:53:18 -04:00
1689c306b6
add "Save to File" option to the context dialog for the log window
2023-09-29 18:00:31 -04:00
5a750c8633
automatically define variable "gui_run" to contain the run number
2023-09-29 17:42:30 -04:00
ef575d5944
change default for replacing log/chart/image windows to true
2023-09-29 16:47:52 -04:00
c24ddfed29
add a run counter to log, chart, and slideshow window titles
...
this counter is reset on loading a new file
2023-09-29 16:45:13 -04:00
b03e8e376a
make references consistent
2023-09-28 14:31:32 -04:00
6613af05dc
fix spelling issue
2023-09-28 14:31:19 -04:00
54517726cd
Merge remote-tracking branch 'github/develop' into lammps-gui-ubuntu20-backport
2023-09-28 14:19:15 -04:00
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
25e9c2a35b
file completion only in current folder. hide popup when changing completer
2023-09-25 09:23:49 -04:00
053f6fa03d
must also update CWD when *saving* a file, not only when loading
2023-09-25 08:54:56 -04:00
a128089ab1
apply clang-format
2023-09-25 08:35:32 -04:00
2c636c83f5
check for compatible LAMMPS version when creating LAMMPS instance
...
This check must be done at runtime, since the LAMMPS shared library
may have been loaded dynamically and thus required library functions
may not be present or missing features with too only a LAMMPS version.
2023-09-25 08:35:23 -04:00
082d2bec9f
merge used parts of periodic_table.h into imageviewer.cpp
2023-09-25 07:46:55 -04:00
29989f102a
remove unused class members and silence compiler warnings
2023-09-24 23:08:59 -04:00
b2f62bbd1a
include FFMpeg and gzip into windows zip archive for LAMMPS GUI
2023-09-24 17:52:43 -04:00
11608abf34
update docs
2023-09-24 16:45:59 -04:00
5201e6b2f1
add support for completion on file names
2023-09-24 16:31:28 -04:00
