mdapy
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mushroomfire
A simple and fast python library to handle the data generated from molecular dynamics simulations
Hi, I would like to know whether the current version supports the analysis of multiple atomic configurations in the trajectory? I found that it is unable to load all atomic...
Hi, I noticed that in GPUMD tutorial. The cutoff and displacement can be changed in `compute_phonon` keyword of run.in. However I did not see how to change this in mdapy...
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A simple and fast python library to handle the data generated from molecular dynamics simulations