| 1 | #ifndef density_h
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| 2 | #define density_h
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| 3 | /** \file density.h
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| 4 | * Header file for \ref density.c
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| 5 | *
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| 6 | * Contains declarations of the functions implemented in \ref density.c
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| 7 | *
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| 8 | Project: ParallelCarParrinello
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| 9 | Jan Hamaekers
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| 10 | 2000
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| 11 |
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| 12 | File: density.h
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| 13 | $Id: density.h,v 1.14 2006/10/16 11:09:05 foo Exp $
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| 14 | */
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| 15 |
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| 16 | void InitDensity(struct Problem *const P);
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| 17 | void InitDensityCalculation(struct Problem *P);
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| 18 | void UpdateDensityCalculation(struct Problem *P);
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| 19 | void ChangePsiAndDensToLevUp(struct Problem *P);
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| 20 | void ControlNativeDensity(struct Problem *P);
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| 21 | double CalculateNativeIntDens(const struct Problem *P, const struct LatticeLevel *Lev, fftw_real *densR, const double factor);
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| 22 | 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);
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| 23 | 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);
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| 24 | void CalculateOneDensityC(const struct Lattice *Lat, const struct LatticeLevel *Lev, const struct Density *Dens, const fftw_real *srcR, fftw_complex *destC, const double Factor);
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| 25 | void LockDensityArray(struct Density *Dens, enum UseType DensityType, enum complex re_im);
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| 26 | void UnLockDensityArray(struct Density *Dens, enum UseType DensityType, enum complex re_im);
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| 27 |
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| 28 |
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| 29 | void DensityRTransformPos(const struct LatticeLevel *Lev, fftw_real *source, fftw_real *dest);
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| 30 | #endif
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