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Merged
pull merged 51 commits into from
Jan 28, 2026
Merged

[pull] develop from lammps:develop #86

pull merged 51 commits into from
Jan 28, 2026

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akohlmey and others added 30 commits January 19, 2026 21:44
@akohlmey
recover compiling SCAFACOS package on Ubuntu 22.04LTS
15689ae
@akohlmey
modernize error handling in fix brownian/* and fix broken checks
35dfe3b
@akohlmey
add VMD workflow example
3199d6b
@akohlmey
replace non-ASCII characters and rewrap
9b40817
@akohlmey
own a few more files
4a17805
@akohlmey
apply C++ move semantics to avoid copy of temporary variable
a8554a9
@akohlmey
use raw string literals for regex patterns
161efca
@akohlmey
use nested namespace
ca3ccb6
@akohlmey
use const references where possible to avoid copies
28a4798
@akohlmey
check for out-of-range numerical atom types
0bc87ee
@akohlmey
apply clang-format
fcce8f5
@akohlmey
add unit tests for typelabel inference
842dbbd
@akohlmey
simplify by using Tokenizer class
497acb0
@akohlmey
silence warning
97ace6b
@akohlmey
add links to YouTube videos of the GRAPHICS examples simulations
2f6e762
@akohlmey
update release steps docs. mention special settings for online manual…
ba162ae 
… version
@akohlmey
Initial draft of LabelMap docs by GitHub Copilot
222e4ac
@akohlmey
revise and condense the AI drafted docs
53d54dc
@akohlmey
better headers and remove some more redundancies
b2c546e
@akohlmey
rename over loaded LabelMap::find() to find_type() and find_label() f…
e25a69f 
…or clarity
@akohlmey
remove some more redundancy, rephrase for clarity, correct formatting
12cc9ea
@akohlmey
add tests for mapping types to labels, use raw string constants
18181aa
@akohlmey
fix typo
4f48be3
@akohlmey
add overload to Image::draw_pixmap() to support image coordinate system
c255e9e
@akohlmey
support using image coordinates with fix graphics/labels
c8a547b
@akohlmey
add support for reading compressed and uncompressed 8-bit RGB .TGA fi…
6a7911f 
…les to fix graphics/labels
@akohlmey
support creating vertical text labels in addition to horizontal ones
b56fbfc
@akohlmey
clarify description of the "basis" keyword and add an example
43dcdf5
@akohlmey
provide access to colormap range
63dd28f
@akohlmey
add minimal implementation of a color scale label
4b6d511
akohlmey and others added 21 commits January 23, 2026 15:16
@akohlmey
fix initialization and always update color scale, even without variab…
ff370b7 
…les in string
@akohlmey
avoid uninitialized data access
140e640
@akohlmey
added support for tics
59abd51
@akohlmey
must scale the length by 2 for consistency
930bcf9
@akohlmey
small updates, follow LAMMPS' coding style more closely
660f539
@akohlmey
add docs for colorscale
56bb6a4
@akohlmey
address some issues spotted by GitHub copilot
1e1f663
@akohlmey
implement corrections suggested by GitHub Copilot
58fe50f
@akohlmey
fix typo
c462f82
@akohlmey
add examples with images using colormap legends to showcase color map…
0d13e9d 
…ping options
@akohlmey
add note about dynamics color maps
4346804
@akohlmey
check if dump exists and print warning for dynamics color map
a0492b1
@akohlmey
avoid segfault when using dump_modify to change bond properties while…
08fa09f 
… bonds are turned off
@akohlmey
bugfix from PR #4852. Also fix same bug in fix neb/spin
7119ead
@stanmoore1
Add fences to fix race condition
8f681a3
@stanmoore1
Temporarily disable atom sorting on device for atom_style hybrid/kk t…
90ac9c1 
…o fix bug
@stanmoore1
Merge branch 'develop' of github.com:lammps/lammps into kk_bugfixes
1e7cdf1
@akohlmey
document missing length keyword. clarify the order of overlapping labels
7826635
@akohlmey
Merge pull request #4856 from stanmoore1/kk_bugfixes
beb2b58 
KOKKOS Package bugfixes
@akohlmey
Merge pull request #4845 from akohlmey/collected-small-changes
cf01646 
Collected small changes and fixes
@akohlmey
Merge pull request #4848 from akohlmey/graphics-updates
81453fa 
GRAPHICS package updates
@pull pull bot locked and limited conversation to collaborators Jan 28, 2026
@pull pull bot added the ⤵️ pull label Jan 28, 2026
@pull pull bot merged commit 81453fa into comphy-lab:develop Jan 28, 2026
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@akohlmey @stanmoore1