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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

◆ densityFileVersion

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().

◆ fileSizeInBytes

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().

◆ matrixSize_1

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().

◆ matrixSize_2

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().

◆ noOfBasisFuncs

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().

◆ noOfDensityMatrices

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().

◆ noOfShells

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().

◆ padding_int

int densityFileHeaderStruct::padding_int

Referenced by ddf_writeShellListAndDensityMatricesToFile(), and ddf_writeShellListAndDensityMatricesToFile_sparse().

◆ typeOfMatrixStorage

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: