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awesomecv

copy of AwesomeCV (https://github.com/posquit0/Awesome-CV) with some personal mods for including publications, adding eye catchers to the beginning of a line, etc.

ch40208

dftfit

Interatomic potential creating using DFT training data.

dlpoly-tools

Tools to handle DL_POLY with Python

lammps

Public development project of the LAMMPS MD software package

lammps-cython

Lammps wrapper with cython interface. High performance, MPI, and interactive.

popoff

pymatgen

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.

pyscses

PYthon Space-Charge Site-Explicit Solver

vasppy

A Python suite for manipulating VASP input and output

vaspruns_for_fitting