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Python scripts for dealing with molecular dynamics script for LAMMPS

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Python scripts for dealing with molecular dynamics simulations

Scripts for manipulating LAMMPS data files and import them with python.

Currently, there are script to read and write a data file, replicate a system (for example a system with bonds that the LAMMPS'replicate command canno't deal with, and a script to solvate a stucture).

These scripts are in development and may not work properly for what you want to do, if its the case just raise an issue.

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Python scripts for dealing with molecular dynamics script for LAMMPS

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