ergo
Dft Namespace Reference

Classes

class  FullMatrix
 
struct  GridParams
 A structure describing the grid settings. More...
 
struct  HiCuGridParams
 A structure describing the HiCu grid settings. More...
 
class  Matrix
 

Functions

real integrate (int ndmat, const FullMatrix *const *dmat, const BasisInfoStruct &bis, const Molecule &mol, const Dft::GridParams &gss, int nThreads, DftBlockCallback cb, void *cb_data)
 
real integrate (int nDmat, const SparseMatrix *const *dmat, const BasisInfoStruct &bis, const Molecule &mol, const Dft::GridParams &gss, int nThreads, DftBlockCallback cb, void *cb_data)
 

Function Documentation

◆ integrate() [1/2]

real Dft::integrate ( int ndmat,
const FullMatrix *const * dmat,
const BasisInfoStruct & bis,
const Molecule & mol,
const Dft::GridParams & gss,
int nThreads,
DftBlockCallback cb,
void * cb_data )

◆ integrate() [2/2]

real Dft::integrate ( int nDmat,
const SparseMatrix *const * dmat,
const BasisInfoStruct & bis,
const Molecule & mol,
const Dft::GridParams & gss,
int nThreads,
DftBlockCallback cb,
void * cb_data )