post-processing tools for Molecular Dynamics

[LiuXiaohui123321]

Are there any tools to post-process the MD data of ABACUS? For example, how to get the MD trajectories, MSD, VACF?

[dyzheng]

As far as I know, maybe @Liu-RX or @YuLiu98 can help with MD trahectories and MSD analysis.
I am sorry that I know nothing about VACF.
I suggest you can calculate RDF(radial distribution function) to analyze the MD status.

[mohanchen]

We have developed a package that can do the post-processing of data. Here is the link: https://github.com/MCresearch/Candela

[mohanchen]

see above