|
|
2d9f244c6c
|
update LAMMPS-GUI documentation for most recent changes
|
2025-07-06 00:01:42 -04:00 |
|
|
|
01aa952968
|
update help index
|
2025-07-05 23:13:17 -04:00 |
|
|
|
7a74cad978
|
Merge remote-tracking branch 'github/develop' into lammps-gui-improvements
|
2025-07-05 23:11:32 -04:00 |
|
|
|
dd484cbde5
|
small improvements suggested by GitHub Copilot
|
2025-07-05 23:10:43 -04:00 |
|
|
|
1d377a1f26
|
add a CPU usage percentage indicator to the status bar
|
2025-07-05 19:49:32 -04:00 |
|
|
|
38d4c58115
|
support setting intel precision and gpu neigh and pair/only from preferences
|
2025-07-05 18:42:45 -04:00 |
|
|
|
ddc10064a2
|
set LAMMPS-GUI version to 1.6.15
|
2025-07-05 18:41:18 -04:00 |
|
|
|
e40d9c0eb2
|
resolve hotkey conflict for selecting GPU accelerator package
|
2025-07-05 14:08:42 -04:00 |
|
|
|
7863df8a76
|
update nthreads text field when accelerator is selected
the text is reset to 1 and editing disabled for None and Opt
|
2025-07-05 13:25:46 -04:00 |
|
|
|
b3eaf7e7f4
|
cache spcpu and tpcpu values so these thermo keywords can be used multiple times
|
2025-07-05 11:57:59 -04:00 |
|
|
|
7505ae3628
|
make handling of threads and accelerator selection more consistent, also buffer length
|
2025-07-05 10:49:22 -04:00 |
|
|
|
cbfedda573
|
only reset cached thermo data if first run or thermo style changed
this preserves last data from previous run for properties that are zero on the first step
|
2025-07-05 08:32:56 -04:00 |
|
|
|
3dc92f8cc4
|
update handling of threads. make nthreads and LammpsGui class member
|
2025-07-04 17:46:51 -04:00 |
|
|
|
6795a2a066
|
Merge pull request #4019 from draneyj/develop
add hybrid monte carlo fix
|
2025-07-04 17:27:19 -04:00 |
|
|
|
a96d1f6363
|
tweak message to remain compatible with derived classes calling the same function
|
2025-07-04 16:30:13 -04:00 |
|
|
|
459bce40ad
|
move constants from header to implementation, replace defines, and remove unused ones
|
2025-07-04 16:29:54 -04:00 |
|
|
|
602dd3b81b
|
improve errors. add warning if non-nve time integration is used w/o rigid
|
2025-07-04 16:17:22 -04:00 |
|
|
|
479f7b9c1e
|
spelling and add missing reference declarations to citations
|
2025-07-04 16:12:59 -04:00 |
|
|
|
d587e49403
|
add further guidance to documentation
|
2025-07-04 10:16:23 -04:00 |
|
|
|
86731f99f6
|
new thermo keyword cpuuse for %CPU utilization
|
2025-07-04 04:40:28 -04:00 |
|
|
|
fedf0949db
|
make some thermo settings accessible
|
2025-07-04 04:12:26 -04:00 |
|
|
|
31f1438a04
|
whitespace
|
2025-07-03 18:08:16 -04:00 |
|
|
|
d5f15d9151
|
Merge branch 'develop' into draneyj/develop
|
2025-07-03 18:07:18 -04:00 |
|
|
|
eb2600e05d
|
clarify documentation
|
2025-07-03 17:23:24 -04:00 |
|
|
|
78809d8f16
|
Merge pull request #4646 from akohlmey/lammps-gui-avoid-plot-slowdown
Reduce Impact of LAMMPS-GUI ChartViewer Performance Regression and Apply clang-tidy Fixes
|
2025-07-03 16:56:56 -04:00 |
|
|
|
acb2cbaaee
|
update example log files
|
2025-07-03 14:38:46 -06:00 |
|
|
|
4bf7191833
|
whitespace
|
2025-07-03 15:48:01 -04:00 |
|
|
|
df20f1f3fd
|
update and relax epsilon ARM64
|
2025-07-03 15:45:04 -04:00 |
|
|
|
7ccaa18543
|
Merge branch 'develop' into lammps-gui-avoid-plot-slowdown
|
2025-07-03 15:40:28 -04:00 |
|
|
|
65f822ce72
|
plug memory leaks
|
2025-07-03 15:25:37 -04:00 |
|
|
|
a4e536e584
|
Merge pull request #4637 from akohlmey/collected-small-changes
Collected small changes and fixes
|
2025-07-03 15:12:38 -04:00 |
|
|
|
ac182284dd
|
memory management matching comm classes
|
2025-07-03 14:09:07 -04:00 |
|
|
|
07567a6cc6
|
change defaults
|
2025-07-03 10:46:21 -04:00 |
|
|
|
9fd39a0657
|
add OpenMP parallelization to smoothing loop
|
2025-07-03 10:29:37 -04:00 |
|
|
|
466ffd82a3
|
add missing weblink
|
2025-07-03 09:17:39 -04:00 |
|
|
|
2c8c2bf278
|
rewrite based on suggestions from @simongravelle
|
2025-07-03 09:17:24 -04:00 |
|
|
|
e999aaf4f3
|
Merge remote-tracking branch 'github/develop' into lammps-gui-avoid-plot-slowdown
|
2025-07-03 05:40:14 -04:00 |
|
|
|
c5e153ae29
|
update help index for recently added commands
|
2025-07-03 05:30:14 -04:00 |
|
|
|
c1f505f15f
|
apply fixes suggested by GitHub Copilot
|
2025-07-03 05:24:02 -04:00 |
|
|
|
5118e38418
|
update changelog
|
2025-07-03 04:42:35 -04:00 |
|
|
|
6c709043b2
|
fix a couple bugs in processing special bonds JSON data for molecules
|
2025-07-03 04:27:44 -04:00 |
|
|
|
5ccbedb3c9
|
recover compilation when loading LAMMPS library dynamically
|
2025-07-03 03:46:17 -04:00 |
|
|
|
b45b6a74d1
|
improve and modernize using clang-tidy
|
2025-07-03 03:38:48 -04:00 |
|
|
|
436af21334
|
use qualified auto
|
2025-07-02 23:19:30 -04:00 |
|
|
|
b19e84541a
|
update change log
|
2025-07-02 23:00:00 -04:00 |
|
|
|
4316267cc8
|
modernize calc_sgsmooth() and related functions and classes
|
2025-07-02 22:57:39 -04:00 |
|
|
|
705fc2aaf7
|
improve formatting of "about" text when LAMMPS is running.
|
2025-07-02 22:42:36 -04:00 |
|
|
|
98fd8e5f56
|
small performance tweak and make compatible with QT 5.12.x on Ubuntu 20.04LTS
|
2025-07-02 22:36:27 -04:00 |
|
|
|
a17aeca1ee
|
discuss slowdown of simulations with too frequent thermo output and enabled smoothing
|
2025-07-02 22:11:24 -04:00 |
|
|
|
dfdac70dc6
|
speed up smoothed data series updates by avoiding append.
|
2025-07-02 22:10:47 -04:00 |
|
