linalg.h File Reference

#include <mkl.h>
#include <mkl_types.h>

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Functions
void	fft3d (double complex *x, int *G_bounds, double *lattice, double *kpt, int *Gs, float complex *Cs, int num_waves, int *fftg)
void	fwd_fft3d (double complex *x, int *G_bounds, double *lattice, double *kpt, int *Gs, float complex *Cs, int num_waves, int *fftg)

Detailed Description

Linear algebra routines performed by interacing with the Intel Math Kernel Library

Function Documentation

void fft3d	(	double complex *	x,
		int *	G_bounds,
		double *	lattice,
		double *	kpt,
		int *	Gs,
		float complex *	Cs,
		int	num_waves,
		int *	fftg
	)

Uses the 3D fast fourier transform to calculate the wavefunction defined by plane-wave coefficients Cs in real space. These values get stored in x. The fast index is z (i.e. the third lattice direction) for storage and computation.

void fwd_fft3d	(	double complex *	x,
		int *	G_bounds,
		double *	lattice,
		double *	kpt,
		int *	Gs,
		float complex *	Cs,
		int	num_waves,
		int *	fftg
	)