aiida_vasp.commands.immigrant

Tool for importing existing calculations into the database

Module Contents

Functions

import_calc	Import an existing calculation into the database. The calculation will be imported as a VaspCalculation with inputs/outputs connected. TODO: automatically link to existing StructureData node using hashing mechanism.
_create_dummy_vasp_code	Create a dummy VASP code for local imports.

API

aiida_vasp.commands.immigrant.import_calc(code, path, potential_family, potential_mapping, include_wavecar, include_chgcar, stdout_file, label, description, group, submit_daemon, quiet, yes)

Import an existing calculation into the database. The calculation will be imported as a VaspCalculation with inputs/outputs connected. TODO: automatically link to existing StructureData node using hashing mechanism.

aiida_vasp.commands.immigrant._create_dummy_vasp_code()

Create a dummy VASP code for local imports.