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To assist reproducing bugs, please include the following:
* Operating System: CentOS 7
* Python version: 3.5.3
* Where Python was acquired: Anaconda
* h5py version: 2.7.0
* numpy: 1.13.1
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@JIMonroe - in your section you cite some specific notes from Scott Shell; can you give the URL of the ones you are referencing? Scott has given us permission to migrate these to GitHub, and I was goi…
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## 🚀 Feature
Use of custom distance function while calculating k nearest neighbour.
NOTE: Please look at the existing list of Issues tagged with the label ['enhancement`](https://github.com…
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Hi,
FNNTW now supports periodic boundary conditions for a rectangular box, where the angles between the two line vectors are 90 degrees. Is it possible to make it more generalizable for a triclinic b…
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Hi,
When I perform the .yaml, always prompt the NaN error in the follow:
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2020…
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Hi all,
We(@amcadmus, @njzjz, @TablewareBox, @Dead-fisher) want to contribute our new features to PLUMED2, which can read TensorFlow graph files and use their outputs as biased force adding to the si…
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Simulated Solute Tempering, 2009
Robert Denschlag, Martin Lingenheil, Paul Tavan, and Gerald Mathias*
https://pubs.acs.org/doi/10.1021/ct900274n
Molecular Simulations of Mixed Lipid Bilayers with…
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Dear @martinjrobins,
Thank you for developing Aboria! I've thoroughly enjoyed using this library for analyzing molecular dynamics data in my work. One of the things that I've been curious about is …
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DiffEqJump now has spatial SSAs. Thats awesome.
I was wondering whether modeling interparticle forces between pair of molecules is important in this area of jump processes on spatial grids. (Not v…
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### Email (Optional)
mm21d013@smail.iitm.ac.in
### Version
v0.7.1
### Which OS(es) are you using?
- [ ] MacOS
- [ ] Windows
- [X] Linux
### What happened?
/home/pradeep/.local/bin/lmp: symbol …