pylbo.utilities.datfiles.file_reader

Classes

LegolasFileReader

Module Contents

class pylbo.utilities.datfiles.file_reader.LegolasFileReader(datfile: os.PathLike, byte_order: str = 'native')[source]
_byte_order[source]
datfile[source]
_read_legolas_version(istream: BinaryIO) pylbo._version.VersionHandler[source]
get_header() pylbo.utilities.datfiles.header.LegolasHeader[source]
read_grid(header: pylbo.utilities.datfiles.header.LegolasHeader) numpy.ndarray[source]
read_gaussian_grid(header: pylbo.utilities.datfiles.header.LegolasHeader) numpy.ndarray[source]
read_ef_grid(header: pylbo.utilities.datfiles.header.LegolasHeader) numpy.ndarray[source]
read_equilibrium_arrays(header: pylbo.utilities.datfiles.header.LegolasHeader) dict[source]
read_eigenvalues(header: pylbo.utilities.datfiles.header.LegolasHeader) numpy.ndarray[source]
read_eigenvectors(header: pylbo.utilities.datfiles.header.LegolasHeader) numpy.ndarray[source]
read_residuals(header: pylbo.utilities.datfiles.header.LegolasHeader) numpy.ndarray[source]
read_matrix_A(header: pylbo.utilities.datfiles.header.LegolasHeader) tuple[numpy.ndarray, numpy.ndarray, numpy.ndarray][source]
read_matrix_B(header: pylbo.utilities.datfiles.header.LegolasHeader) tuple[numpy.ndarray, numpy.ndarray, numpy.ndarray][source]
read_eigenfunction(header: pylbo.utilities.datfiles.header.LegolasHeader, ev_index: int) dict[source]
read_derived_eigenfunction(header: pylbo.utilities.datfiles.header.LegolasHeader, ev_index: int) dict[source]
_read_eigenfunction_like(header: pylbo.utilities.datfiles.header.LegolasHeader, offset: int, ef_index: int, state_vector: numpy.ndarray) dict[source]
_get_ef_index(header: pylbo.utilities.datfiles.header.LegolasHeader, ev_index: int) int[source]