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supersonic594's Projects

dft-book icon dft-book

A book on modeling materials using VASP, ase and jasp

dft-course icon dft-course

Course repository for 06-640 - Molecular simulation

imd icon imd

The ITAP Molecular Dynamics Program

kmclib icon kmclib

A kinetic Monte Carlo Python/C++ library.

lammps icon lammps

Public/backup repository of the lammps source

mdcs icon mdcs

Materials Data Curation System

pycse icon pycse

Python computations in science and engineering

python-atat icon python-atat

Python wrappers for the Alloy Theoretic Automated Toolkit

python-reaxff icon python-reaxff

python wrappers for generating training files for the ReaxFF code

scipy icon scipy

Scipy library main repository

spglib icon spglib

C library for finding and handling crystal symmetries

vaspy icon vaspy

Manipulating VASP files with Python.

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