PAOFLOW.transport.validation#

Functions#

validate_file_names(file_names)

validate_hamiltonian_selectors(hamiltonian)

validate_kpoint_grid(grid)

validate_energy_settings(energy, *[, carriers])

validate_symmetry_output_options(symmetry)

validate_iteration_settings(iteration)

validate_advanced_settings(advanced)

validate_conductor_data(data)

Validate all conductor input fields before numerical work begins.

validate_current_settings(settings)

Module Contents#

PAOFLOW.transport.validation.validate_file_names(file_names)[source]#
PAOFLOW.transport.validation.validate_hamiltonian_selectors(hamiltonian)[source]#
PAOFLOW.transport.validation.validate_kpoint_grid(grid)[source]#
PAOFLOW.transport.validation.validate_energy_settings(energy, *, carriers='electrons')[source]#
PAOFLOW.transport.validation.validate_symmetry_output_options(symmetry)[source]#
PAOFLOW.transport.validation.validate_iteration_settings(iteration)[source]#
PAOFLOW.transport.validation.validate_advanced_settings(advanced)[source]#
PAOFLOW.transport.validation.validate_conductor_data(data)[source]#

Validate all conductor input fields before numerical work begins.

Raises ValueError or RuntimeError with a message naming the bad field and the violated rule.

PAOFLOW.transport.validation.validate_current_settings(settings)[source]#