aiida_vasp.commands.mock_vasp#

Mock vasp command.

Separate cli interface for commands useful in development and testing.

Module Contents#

Functions#

mock_vasp_loose

Loose version of mock-vasp that has default test data - only useful for testing and development.

mock_vasp

If MOCK_VASP_VASP_CMD is set in the environment, it will use that command to run VASP if needed and add the calculation to the registry.

_mock_vasp

Verify input objects are parsable and copy in output objects.

stop_and_return

Halts mock-vasp, rebuilds the vasp_output and returns.

API#

aiida_vasp.commands.mock_vasp.mock_vasp_loose() None#

Loose version of mock-vasp that has default test data - only useful for testing and development.

aiida_vasp.commands.mock_vasp.mock_vasp() None#

If MOCK_VASP_VASP_CMD is set in the environment, it will use that command to run VASP if needed and add the calculation to the registry.

aiida_vasp.commands.mock_vasp._mock_vasp(strict_match: bool) None[source]#

Verify input objects are parsable and copy in output objects.

aiida_vasp.commands.mock_vasp.stop_and_return(vasp_mock_output: List[str]) None[source]#

Halts mock-vasp, rebuilds the vasp_output and returns.