source: pcp/src/density.h@ f70c2a

Last change on this file since f70c2a was e08f45, checked in by Frederik Heber <heber@…>, 17 years ago

Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull

Conflicts:

molecuilder/src/boundary.cpp
molecuilder/src/boundary.hpp
molecuilder/src/builder.cpp
molecuilder/src/linkedcell.cpp
molecuilder/src/linkedcell.hpp
molecuilder/src/vector.cpp
molecuilder/src/vector.hpp
util/src/NanoCreator.c

Basically, this resulted from a lot of conversions two from spaces to one tab, which is my standard indentation. The mess was caused by eclipse auto-indenting. And in espack2:ConcaveHull was the new stuff, so all from ConcaveHull was replaced in case of doubt.
Additionally, vector had ofstream << operator instead ostream << ...
  • Property mode set to 100755
File size: 1.5 KB
Line 
1#ifndef density_h
2#define density_h
3/** \file density.h
4 * Header file for \ref density.c
5 *
6 * Contains declarations of the functions implemented in \ref density.c
7 *
8 Project: ParallelCarParrinello
9 Jan Hamaekers
10 2000
11
12 File: density.h
13 $Id: density.h,v 1.14 2006/10/16 11:09:05 foo Exp $
14*/
15
16#ifdef HAVE_CONFIG_H
17#include <config.h>
18#endif
19
20void InitDensity(struct Problem *const P);
21void InitDensityCalculation(struct Problem *P);
22void UpdateDensityCalculation(struct Problem *P);
23void ChangePsiAndDensToLevUp(struct Problem *P);
24void ControlNativeDensity(struct Problem *P);
25double CalculateNativeIntDens(const struct Problem *P, const struct LatticeLevel *Lev, fftw_real *densR, const double factor);
26void 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);
27void CalculateOneDensityImR(const struct Lattice *Lat, const struct LatticeLevel *Lev, const struct Density *Dens, fftw_complex *source, fftw_real *destR, const double Factor, int StorePsi);
28void CalculateOneDensityC(const struct Lattice *Lat, const struct LatticeLevel *Lev, const struct Density *Dens, const fftw_real *srcR, fftw_complex *destC, const double Factor);
29void LockDensityArray(struct Density *Dens, enum UseType DensityType, enum complex re_im);
30void UnLockDensityArray(struct Density *Dens, enum UseType DensityType, enum complex re_im);
31
32
33void DensityRTransformPos(const struct LatticeLevel *Lev, fftw_real *source, fftw_real *dest);
34#endif
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