jarvis.tasks.lammps.templates.templates

Provide LAMMPS module .mod files.

Module Contents

Classes

GenericInputs

Provide generic LAMMPS inputs such as relxation tolerance etc.

class jarvis.tasks.lammps.templates.templates.GenericInputs(input_name='')[source]

Bases: object

Provide generic LAMMPS inputs such as relxation tolerance etc.

elastic_general(self, path='.')[source]

Provide filename for elastic constant calculations.

relax(self, path='.')[source]

Provide filename for relaxation calculations.

run0(self, path='.')[source]

Provide filename for one-step calculations.