eOn 3.2.0
Long-timescale dynamics: aKMC, NEB, parallel replica
☾
Toggle main menu visibility
Loading...
Searching...
No Matches
GhostPotential.h
Go to the documentation of this file.
1
// Emacs: This is -*- C++ -*-
2
3
#ifndef GHOSTPOTENTIAL_H
4
#define GHOSTPOTENTIAL_H
5
6
#include "
Potential.h
"
7
9
22
23
class
GhostPotential
:
public
AsapPotential
{
24
public
:
25
GhostPotential
(
AsapPotential
*p) :
potential
(p) {}
26
28
33
virtual
bool
CheckAndUpdateAtoms
(
bool
update) = 0;
34
36
44
virtual
void
CommunicateData
(
double
data[]) = 0;
46
50
virtual
void
CommunicateData
(
double
data[],
int
n) = 0;
51
53
virtual
void
UpdateGhostPositions
() = 0;
54
56
double
GetCutoffRadius
()
const
{
return
potential
->GetCutoffRadius(); }
57
59
double
GetLatticeConstant
()
const
{
return
potential
->GetLatticeConstant(); }
60
61
protected
:
62
AsapPotential
*
potential
;
63
};
64
65
#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:62
GhostPotential::GetLatticeConstant
double GetLatticeConstant() const
Get the lattice constant of the wrapped potential.
Definition
GhostPotential.h:59
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:56
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
Generated by
1.17.0
Generated by
Doxygen 1.17.0
Analytics by
Antics
provided by
TurtleTech ehf