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src
libs
force
lennardjonesforce.h
Go to the documentation of this file.
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#ifndef LENNARDJONESFORCE_H
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#define LENNARDJONESFORCE_H
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#include <
force/twoparticleforce.h
>
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class
LennardJonesForce
:
public
TwoParticleForce
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{
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public
:
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LennardJonesForce
();
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virtual
void
calculateAndApplyForce
(
Atom
*atom1,
Atom
*atom2);
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virtual
void
calculateAndApplyForce
(
Atom
* atom1,
Atom
* atom2,
const
Vector3
&atom2Offset);
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void
setPotentialConstant
(
double
potentialConstant);
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void
setEnergyConstant
(
double
energyConstant);
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void
setShift
(
double
shift);
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protected
:
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Vector3
zeroVector
;
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Vector3
tmpVector
;
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double
m_potentialConstant
;
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double
m_potentialConstantSquared
;
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double
m_energyConstant
;
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double
m_energyConstant4
;
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double
m_energyConstant24
;
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double
m_shift
;
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double
m_shiftSquared
;
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};
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#endif // LENNARDJONESFORCE_H
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