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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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## 🚀 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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Spinoff discussion from https://github.com/openmm/openmm/issues/3924
This issue is to discuss whether we can port the AIREBO force field from LAMMPS (https://arxiv.org/pdf/1810.07026.pdf) and the f…
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### Name
Josh Vita
### Email
vita1@llnl.gov
### Dataset name
Pb_Te_2023
### Authors
Zhanpeng Gong, Jefferson Zhe Liu, Xiangdong Ding, Jun Sun, Junkai Deng
### Links
* Paper: https://journals.…
jvita updated
4 months ago
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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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**Is your feature request related to a problem? Please describe.**
A quick diagram of the topic is presented in the second post below.
Dear developers, I work in the field of molecular dynamics wh…
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Hi,
First of all, great add-on! I've been playing with it for my molecular dynamics simulations and it works great event data uploaded is heavy (using Blender 3.2). I have several objects and one mtl…
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Provide trainings with details about the algorithms of the main analysis to help user really understand what is happening .
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Zhang et al. 2021 (https://doi.org/10.1038/s41427-021-00320-0):
This paper has reviewed several simulations to study the interaction of nanoparticles (NPs) and membrane. This paper said there are se…