densityFileHeaderStruct Struct Reference

Public Attributes
int	densityFileVersion
int	typeOfMatrixStorage
int	noOfShells
int	noOfBasisFuncs
int	noOfDensityMatrices
int	padding_int
double	matrixSize_1
double	matrixSize_2
double	fileSizeInBytes

Member Data Documentation

int densityFileHeaderStruct::densityFileVersion

Referenced by ddf_load_density_getSizes(), ddf_read_shells_and_density_matrices(), ddf_read_shells_and_density_matrices_sparse(), ddf_writeShellListAndDensityMatricesToFile(), and ddf_writeShellListAndDensityMatricesToFile_sparse().

double densityFileHeaderStruct::fileSizeInBytes

Referenced by ddf_load_density_getSizes(), ddf_read_shells_and_density_matrices(), ddf_read_shells_and_density_matrices_sparse(), ddf_writeShellListAndDensityMatricesToFile(), and ddf_writeShellListAndDensityMatricesToFile_sparse().

double densityFileHeaderStruct::matrixSize_1

Referenced by ddf_load_density_getSizes(), ddf_read_shells_and_density_matrices(), ddf_read_shells_and_density_matrices_sparse(), ddf_writeShellListAndDensityMatricesToFile(), and ddf_writeShellListAndDensityMatricesToFile_sparse().

double densityFileHeaderStruct::matrixSize_2

Referenced by ddf_load_density_getSizes(), ddf_read_shells_and_density_matrices(), ddf_read_shells_and_density_matrices_sparse(), ddf_writeShellListAndDensityMatricesToFile(), and ddf_writeShellListAndDensityMatricesToFile_sparse().

int densityFileHeaderStruct::noOfBasisFuncs

Referenced by ddf_load_density_getSizes(), ddf_read_shells_and_density_matrices(), ddf_read_shells_and_density_matrices_sparse(), ddf_writeShellListAndDensityMatricesToFile(), and ddf_writeShellListAndDensityMatricesToFile_sparse().

int densityFileHeaderStruct::noOfDensityMatrices

Referenced by ddf_load_density_getSizes(), ddf_read_shells_and_density_matrices(), ddf_read_shells_and_density_matrices_sparse(), ddf_writeShellListAndDensityMatricesToFile(), and ddf_writeShellListAndDensityMatricesToFile_sparse().

int densityFileHeaderStruct::noOfShells

Referenced by ddf_load_density_getSizes(), ddf_read_shells_and_density_matrices(), ddf_read_shells_and_density_matrices_sparse(), ddf_writeShellListAndDensityMatricesToFile(), and ddf_writeShellListAndDensityMatricesToFile_sparse().

int densityFileHeaderStruct::padding_int

Referenced by ddf_writeShellListAndDensityMatricesToFile(), and ddf_writeShellListAndDensityMatricesToFile_sparse().

int densityFileHeaderStruct::typeOfMatrixStorage

Referenced by ddf_load_density_getSizes(), ddf_read_shells_and_density_matrices(), ddf_read_shells_and_density_matrices_sparse(), ddf_writeShellListAndDensityMatricesToFile(), and ddf_writeShellListAndDensityMatricesToFile_sparse().

---

The documentation for this struct was generated from the following file:

• source/utilities/density_description_file.cc