xperrylinn / LAMMPS-MD-PdH Public

Notifications You must be signed in to change notification settings
Fork 1
Star 1

Parses dump files from LAMMPS MD output, calculates thermodynamic properties (Maxwell Boltzman distribution, equilibrium lattice constant, bulk modulus, pressure auto correlation function, diffusion coefficient, etc..) of crystal Pd, and a solution of H in Pd lattice.

1 star 1 fork Branches Tags Activity

Notifications

Name		Name	Last commit message	Last commit date
Latest commit History 40 Commits
.idea/libraries		.idea/libraries
input		input
src		src
.gitignore		.gitignore
LMD.py		LMD.py
README.md		README.md

Repository files navigation

projects

Code, molecules, and iron..

About

Parses dump files from LAMMPS MD output, calculates thermodynamic properties (Maxwell Boltzman distribution, equilibrium lattice constant, bulk modulus, pressure auto correlation function, diffusion coefficient, etc..) of crystal Pd, and a solution of H in Pd lattice.

Report repository

Releases

No releases published

Packages

No packages published

Languages