LiquidLib

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Registered users can access LiquidLib with their GitHub accounts:

This project is maintained by Zhang-Group

 

Introduction

LiquidLib is a post-processing tool for molecular dynamics simulations with the capabilities to compute quantities useful in studying liquids and glasses. This package has built in support to analyze LAMMPS, GROMACS, and VASP trajectory files. The new release (v0.2) can run on a single processor or a shared memory module with OpenMP support.

Capabilities

LiquidLib has the capabilities to compute the following quantities:

Authors and Contributors

This project is developed and maintained by Zhang-Group. Individuals who wrote the source codes are Zhikun Cai (@caizkun), Abhishek Jaiswal (@jaisabhi), and Nathan Walter (@walternathan6754).

Please cite us as follows if you make use of our package in your work.

Contact

For obtaining user support please contact us at Zhang-Group.