aayus-sharma Goto Github PK

pyiron_lammps

Vector-oriented LAMMPS interface to rapidly iterate over series of atomistic structures or interatomic potentials.

pylabdd

Python Laboratory for Dislocation Dynamics

pylabfea

Python Laboratory for Finite Element Analysis

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.

scema

HMM implementation featuring Deal.II (FE) and LAMMPS (MD)

sqsgenerator

A command line tool written in Python/C++ for finding optimized SQS structures

test

test2

vickershardnessprediction

Predicting load dependent Vickers hardness

wcsro

This package calculates the Warren Cowley short range order parameter (SRO) for arbitrary alloys in Julia.