CoMD
A Mini-app for Co-Design of Classical Molecular Dynamics.
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timestep.h
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1 /// \file
2 /// Leapfrog time integrator
3 
4 #ifndef __LEAPFROG_H
5 #define __LEAPFROG_H
6 
7 #include "CoMDTypes.h"
8 
9 double timestep(SimFlat* s, int n, real_t dt);
10 void computeForce(SimFlat* s);
11 void kineticEnergy(SimFlat* s);
12 
13 /// Update local and remote link cells after atoms have moved.
14 void redistributeAtoms(struct SimFlatSt* sim);
15 
16 #endif