-
atomman.lammps.LAMMPS added that provides a common interface for setting
up LAMMPS calculations that can then be executed either by calling a LAMMPS
executable or by interacting with the LAMMPS library interface. -
atomman.thermo.GreenKubo added, which contains classes that support
Green-Kubo calculations. These make it easy to compute the auto-correlation
functions from tabulated data and to estimate optimum cutoff distances to use
for the integral evaluations. -
atomman.ElasticConstants now uses the new version, previously known as
ElasticConstants2. -
Bug fixes related to newer versions of pandas and phonopy.