1#ifndef RP_INTRACORRELATION_H
2#define RP_INTRACORRELATION_H
11#include <pscf/math/IntVec.h>
12#include <util/containers/DArray.h>
17 template <
typename WT>
class Mixture;
31 template <
int D,
class T>
80 typename T::System
const &
system()
const;
84 using RealT =
typename T::Real;
87 typename T::System
const * systemPtr_;
104 using FFTT =
typename T::FFT;
109 template <
int D,
class T>
inline
110 int IntraCorrelation<D,T>::kSize()
const
114 template <
int D,
class T>
inline
116 {
return *systemPtr_; }
Correlations in a homogeneous ideal gas mixture.
An IntVec<D, T> is a D-component vector of elements of integer type T.
IntraCorrelation(typename T::System const &system)
Constructor.
Types< D >::System const & system() const
void computeGsq()
Compute array of squared wavevectors.
void computeOmegaTotal(Array< typename T::Real > &correlations)
Compute total intramolecular correlation function (all blocks).
void getMeshDimensions()
Get and store r-grid and kgrid-mesh dimensions.
~IntraCorrelation()
Destructor.
Array container class template.
Dynamically allocatable contiguous array template.
Intramolecular correlations in homogeneous systems.
Class templates for real-valued periodic fields.
PSCF package top-level namespace.