Concurrent atomistic-continuum (CAC) simulation environment

PyCAC

LAMMPS dump file extractor

From a large LAMMPS dump file, dump.cac, this program extracts some atoms whose ids are stored in group_atomap.id, and then outputs these atoms to a smaller LAMMPS dump file, dump.group, with updated boundaries.

Elastic moduli of cubic system

Given three elastic constants c11, c12, and c44 of a cubic system, directions l, n, and m, as well as plane normal i, j, and k, this program calculates Young's modulus and shear modulus of the rotated system.