jarvis.tasks.lammps.templates package¶

Submodules¶

jarvis.tasks.lammps.templates.templates module¶

Provide LAMMPS module .mod files.

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

Bases: object

Provide generic LAMMPS inputs such as relxation tolerance etc.

elastic_general(path='.')[source]¶: Provide filename for elastic constant calculations.

relax(path='.')[source]¶: Provide filename for relaxation calculations.

run0(path='.')[source]¶: Provide filename for one-step calculations.

Module contents¶

Provide LAMMPS templates for .mod files.