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Dear Dr, Peter Larsen,
I appreciate for developing the polyhedral template matching algorithm, which works well at finite temperature.
Using the algorithm, the local environment of a solid struc…
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So you can dump the current timestep to an xyz-file for further studies in e.g. Ovito.
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Hello! Due to modeling needs, I need a reasonable orthogonal CSH model, but the model generated by pyCSH is a triclinic crystal model, I tried some orthogonalization methods, but the simulation still …
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In wiki/Installing_the_Frequently-Used_Programs_for_CME-Lab.md, we have a guide on our most-frequently used software. There are other tools that tend to be useful, but used less frequently. Let's we m…
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### Background
After running a Molecular Dynamics (MD) simulation, it is often necessary to parse the output files to calculate the Mean Square Displacement (MSD). The output file, MD_dump, contains …
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I'm just making a list here (so I don't forget) of ongoing issues I've found so far that are partially resolved/need a cleaner fix:
- We need a long long int for "BondsList = calloc((long long int)…
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Hello OpenDiS team,
I apologize if this is the wrong forum to ask a question about using OpenDiS, but I did not see a contact on the documentation yet.
I have successfully installed/compiled Op…
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E.g., [Tachyon](http://www.photonlimited.com/~johns/tachyon/) or [VisRTX](https://github.com/NVIDIA/VisRTX)
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Thanks for this code, however I was wondering if there are any sample test cases or examples.
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Hi! I am writing a package that hopes to replace mdanalysis and moltemplate. I am looking for a visualization package and front-end to view the model I made or the analysis result. I don't want to con…