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GhostAtoms.h
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#ifndef GHOSTATOMS_H
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#define GHOSTATOMS_H
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4
#include "
Atoms.h
"
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class
SuperCell
;
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class
Vec
;
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class
GhostPotential
;
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class
GhostAtoms
:
public
Atoms
{
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public
:
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GhostAtoms
(
const
Vec
*pos,
int
nAtoms
,
SuperCell
*
superCell
);
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virtual
~GhostAtoms
() {}
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GhostPotential
*
GetGhostPotential
() {
return
ghostPotential
; }
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void
SetGhostPotential
(
GhostPotential
*g) {
ghostPotential
= g; }
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int
GetNumberOfGhosts
()
const
{
return
nGhosts
; }
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void
SetNumberOfGhosts
(
int
g);
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private
:
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GhostPotential
*
ghostPotential
;
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int
nGhosts
;
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};
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#endif
// GHOSTATOMS_H
Atoms.h
Atoms::superCell
SuperCell * superCell
A pointer to the supercell.
Definition
Atoms.h:203
Atoms::Atoms
Atoms(const Vec *p, int n, SuperCell *s)
Construct Atoms from array of positions, number of elements and a SuperCell.
Atoms::nAtoms
int nAtoms
The number of atoms in the list.
Definition
Atoms.h:209
GhostAtoms::GhostAtoms
GhostAtoms(const Vec *pos, int nAtoms, SuperCell *superCell)
GhostAtoms::GetGhostPotential
GhostPotential * GetGhostPotential()
Definition
GhostAtoms.h:14
GhostAtoms::~GhostAtoms
virtual ~GhostAtoms()
Definition
GhostAtoms.h:13
GhostAtoms::SetGhostPotential
void SetGhostPotential(GhostPotential *g)
Definition
GhostAtoms.h:15
GhostAtoms::nGhosts
int nGhosts
Definition
GhostAtoms.h:21
GhostAtoms::ghostPotential
GhostPotential * ghostPotential
Definition
GhostAtoms.h:20
GhostAtoms::GetNumberOfGhosts
int GetNumberOfGhosts() const
Definition
GhostAtoms.h:16
GhostAtoms::SetNumberOfGhosts
void SetNumberOfGhosts(int g)
GhostPotential
Common base class of ParallelPotential and QCPotential.
Definition
GhostPotential.h:23
SuperCell
The SuperCell defines the size, shape and boundary condx of a simulation.
Definition
SuperCell.h:20
Vec
A 3-vector useful for postions etc.
Definition
Vec.h:18
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GhostAtoms.h
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