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GhostPotential.h
Go to the documentation of this file.
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// Emacs: This is -*- C++ -*-
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#ifndef GHOSTPOTENTIAL_H
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#define GHOSTPOTENTIAL_H
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#include "
Potential.h
"
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class
GhostPotential
:
public
AsapPotential
{
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public
:
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GhostPotential
(
AsapPotential
*p)
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:
potential
(p) {}
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virtual
bool
CheckAndUpdateAtoms
(
bool
update) = 0;
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virtual
void
CommunicateData
(
double
data[]) = 0;
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virtual
void
CommunicateData
(
double
data[],
int
n) = 0;
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virtual
void
UpdateGhostPositions
() = 0;
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double
GetCutoffRadius
()
const
{
return
potential
->GetCutoffRadius(); }
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double
GetLatticeConstant
()
const
{
return
potential
->GetLatticeConstant(); }
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protected
:
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AsapPotential
*
potential
;
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};
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#endif
// GHOSTPOTENTIAL_H
AsapPotential
Abstract base class of all potentials.
Definition
Potential.h:29
GhostPotential::potential
AsapPotential * potential
Pointer to the wrapped potential.
Definition
GhostPotential.h:63
GhostPotential::GetLatticeConstant
double GetLatticeConstant() const
Get the lattice constant of the wrapped potential.
Definition
GhostPotential.h:60
GhostPotential::CheckAndUpdateAtoms
virtual bool CheckAndUpdateAtoms(bool update)=0
Check if the ghost atoms want the neighbor list updated.
GhostPotential::GetCutoffRadius
double GetCutoffRadius() const
Get the cutoff of the wrapped potential.
Definition
GhostPotential.h:57
GhostPotential::GhostPotential
GhostPotential(AsapPotential *p)
Definition
GhostPotential.h:25
GhostPotential::UpdateGhostPositions
virtual void UpdateGhostPositions()=0
Update the position of ghost atoms.
GhostPotential::CommunicateData
virtual void CommunicateData(double data[])=0
Place data on virtual atoms.
GhostPotential::CommunicateData
virtual void CommunicateData(double data[], int n)=0
Place data on virtual atoms.
Potential.h
include
eon
potentials
EMT
Asap
GhostPotential.h
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