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A Mini-app for Co-Design of Classical Molecular Dynamics.
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timestep.h
Go to the documentation of this file.
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/// \file
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/// Leapfrog time integrator
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#ifndef __LEAPFROG_H
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#define __LEAPFROG_H
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#include "
CoMDTypes.h
"
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double
timestep
(
SimFlat
* s,
int
n,
real_t
dt);
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void
computeForce
(
SimFlat
* s);
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void
kineticEnergy
(
SimFlat
* s);
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/// Update local and remote link cells after atoms have moved.
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void
redistributeAtoms
(
struct
SimFlatSt
* sim);
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#endif
timestep.h
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