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Running the OVITO Pro (v3.10.3) VisRTX renderer inside an Ubuntu WSL we get a Segmentation Fault in the VisRTX module crashing the application. While we don't expect / require VisRTX to work inside WS…
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Need to investigate if this is per-device, per-renderer, or per-surface/material/geometry.
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Can we skip XYZ's that are empty for the aspect ratio calculation?
CA:A-Ratios-INFO: Attempting to calculate Aspect Ratios...
CA:A-Ratios-INFO: Options:: AR: True CDA: False Checked: None Sele…
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With CMake settings `OSPRAY_ENABLE_VOLUMES=OFF` and `OSPRAY_BUILD_ISA=NEON2X` I get:
```
-- ISPC supports: x86, x86-64, arm, aarch64
CMake Error at cmake/ospray_macros.cmake:214 (message):
You…
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### Bug summary
dpdata extracts incorrect box information when extracting NPT_F dynamics trajectories calculated by cp2k (version 7.1)
### dpdata Version
v0.2.17
### Input Files, Running C…
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Hello, I got a mess DCD trajectory file via DCDReporter, it feels like the element mapping is wrong.
Here is the initial topology:
![image](https://github.com/openmm/openmm/assets/146178267/96e72819…
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Dear authors,
The software has standard and comprehensive automated tests implemented using pytest. However, these minor points can be taken into account in this regard:
* I cannot find the FEniCS…
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I was testing how VisRTX behaves in case no CUDA capable device is present. Since I did not have such a computer available, I used the environment variable `CUDA_VISIBLE_DEVICES` to pretend that no de…
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I am trying to port an existing pluggable extension module from old OSPRay 2.7.1 to the current version 3.0.0. The custom extension module is used by our application (OVITO) to render additional geome…
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How can I get the output file of various types of properties in the analysis like atom and bond, dihedral angle properties, I mean to output these parameters in the form of a file like excel file