chem/SCF.cc File Reference

#include <chem/SCF.h>
#include <madness/tensor/elem.h>
#include <madness/TAU.h>
#include <madness/mra/lbdeux.h>
#include <madness/mra/qmprop.h>
#include <madness/misc/misc.h>
#include <madness/misc/ran.h>
#include <madness/tensor/distributed_matrix.h>

Include dependency graph for chem/SCF.cc:

Namespaces
	madness
	Holds machinery to set up Functions/FuncImpls using various Factories and Interfaces.

Functions
template<typename T , std::size_t NDIM>
DistributedMatrix< T >	madness::matrix_inner (const DistributedMatrixDistribution &d, const std::vector< Function< T, NDIM > > &f, const std::vector< Function< T, NDIM > > &g, bool sym=false)
template<typename T , typename R , std::size_t NDIM>
std::vector< Function < TENSOR_RESULT_TYPE(T, R), NDIM > >	madness::transform (World &world, const std::vector< Function< T, NDIM > > &v, const DistributedMatrix< R > &c, bool fence=true)
void	madness::START_TIMER (World &world)
void	madness::END_TIMER (World &world, const char *msg)
void	madness::drot (long n, double *restrict a, double *restrict b, double s, double c, long inc)
	Simple (?) version of BLAS-1 DROT(N, DX, INCX, DY, INCY, DC, DS) More...
Tensor< double >	madness::Q3 (const tensorT &s)
	Given overlap matrix, return rotation with 3rd order error to orthonormalize the vectors. More...
tensorT	madness::Q2 (const tensorT &s)
void	madness::drot3 (long n, double *restrict a, double *restrict b, double s, double c, long inc)
complex_functionT	madness::APPLY (const complex_operatorT *q1d, const complex_functionT &psi)