ICME@UFABC

dislo-glide

Input and atomic coordinates to simulate dislocation motion with LAMMPS.

icme-ufabc.github.io

molecules

Optimized geometries of single molecules

polymers

Optimized geometries of polymer chains and polymer crystals

pylmpmc

A Python library for the easy implementation of atomistic Monte Carlo algorithms for simulations with LAMMPS.

qeijo

Lightweight library to easily launch ab initio calculations with Quantum Espresso.

icme-ufabc/pylmpmc

A Python library for the easy implementation of atomistic Monte Carlo algorithms for simulations with LAMMPS.

icme-ufabc/qeijo

Lightweight library to easily launch ab initio calculations with Quantum Espresso.

icme-ufabc/dislo-glide

Input and atomic coordinates to simulate dislocation motion with LAMMPS.

icme-ufabc/icme-ufabc.github.io

icme-ufabc/molecules

Optimized geometries of single molecules

icme-ufabc/polymers

Optimized geometries of polymer chains and polymer crystals