pyiron_atomistics.thermodynamics.interfacemethod.fix_iso

Contents

pyiron_atomistics.thermodynamics.interfacemethod.fix_iso#

pyiron_atomistics.thermodynamics.interfacemethod.fix_iso(job)[source]#

Add couple xyz to the fix_ensemble inside LAMMPS

Parameters:

job (LAMMPS) – Lammps job object

Returns:

Return updated job object

Return type:

LAMMPS