#ifndef density_h #define density_h /** \file density.h * Header file for \ref density.c * * Contains declarations of the functions implemented in \ref density.c * Project: ParallelCarParrinello Jan Hamaekers 2000 File: density.h $Id: density.h,v 1.14 2006/10/16 11:09:05 foo Exp $ */ void InitDensity(struct Problem *const P); void InitDensityCalculation(struct Problem *P); void UpdateDensityCalculation(struct Problem *P); void ChangePsiAndDensToLevUp(struct Problem *P); void ControlNativeDensity(struct Problem *P); double CalculateNativeIntDens(const struct Problem *P, const struct LatticeLevel *Lev, fftw_real *densR, const double factor); void CalculateOneDensityR(const struct Lattice *Lat, const struct LatticeLevel *Lev, const struct Density *Dens, const fftw_complex *source, fftw_real *destR, const double Factor, int StorePsi); void CalculateOneDensityImR(const struct Lattice *Lat, const struct LatticeLevel *Lev, const struct Density *Dens, fftw_complex *source, fftw_real *destR, const double Factor, int StorePsi); void CalculateOneDensityC(const struct Lattice *Lat, const struct LatticeLevel *Lev, const struct Density *Dens, const fftw_real *srcR, fftw_complex *destC, const double Factor); void LockDensityArray(struct Density *Dens, enum UseType DensityType, enum complex re_im); void UnLockDensityArray(struct Density *Dens, enum UseType DensityType, enum complex re_im); void DensityRTransformPos(const struct LatticeLevel *Lev, fftw_real *source, fftw_real *dest); #endif