1#ifndef RPG_INTRACORRELATION_H
2#define RPG_INTRACORRELATION_H
11#include <util/param/ParamComposite.h>
12#include <prdc/cuda/RField.h>
13#include <prdc/cuda/RFieldDft.h>
14#include <util/containers/DArray.h>
20 template <
int D>
class System;
79 {
return *systemPtr_; }
82 #ifndef RPG_INTRACORRELATION_TPP
An IntVec<D, T> is a D-component vector of elements of integer type T.
Field of real double precision values on an FFT mesh.
Linear response function for response to pressure.
System< D > & system()
Return reference to parent system.
void computeIntraCorrelations(RField< D > &correlations)
Compute and return intramolecular correlations.
IntraCorrelation(System< D > &system)
Constructor.
~IntraCorrelation()
Destructor.
Main class, representing one complete system.
ParamComposite()
Constructor.
Fields, FFTs, and utilities for periodic boundary conditions (CUDA)
Periodic fields and crystallography.
SCFT and PS-FTS with real periodic fields (GPU)
PSCF package top-level namespace.