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src
libs
integrator
integrator.h
Go to the documentation of this file.
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#ifndef INTEGRATOR_H
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#define INTEGRATOR_H
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class
MoleculeSystem
;
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#include <armadillo>
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using namespace
arma;
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class
Integrator
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{
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public
:
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Integrator
(
MoleculeSystem
*moleculeSystem);
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virtual
void
stepForward() = 0;
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virtual
void
initialize() = 0;
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void
setTimeStep(
double
timeStep);
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double
timeStep
() {
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return
m_timeStep;
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}
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protected
:
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MoleculeSystem
*
m_moleculeSystem
;
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double
m_timeStep
;
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};
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#endif // INTEGRATOR_H
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