/SPCE_water_lammps

Calculate some properties for SPC/C

SPC/E water model

A model for SPC/E water is created by moltemplate and some measurements are done by lammps package.

Main Repo:

  1. Build_input -> Design the Box and equilibration
  2. Viscosity -> Measuring the viscosity using Green-Kubo (GK) formula.
  3. diffusion_coefficient_MSD -> Measuring diffusion coefficient D based on MSD method.
  4. VACF -> Calculating VASF....

Disclaimer: This repository is made just for fun!