Changes in src/atom_trajectoryparticle.hpp [b453f9:aafd77]
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src/atom_trajectoryparticle.hpp
rb453f9 raafd77 20 20 #include <fstream> 21 21 22 #include <gsl/gsl_inline.h> 22 23 #include <gsl/gsl_randist.h> 23 24 … … 50 51 void ResizeTrajectory(int MaxSteps); 51 52 void CopyStepOnStep(int dest, int src); 52 void VelocityVerletUpdate(int MDSteps, config *configuration, ForceMatrix *Force );53 void VelocityVerletUpdate(int MDSteps, config *configuration, ForceMatrix *Force, const size_t offset); 53 54 void SumUpKineticEnergy( int Step, double *TotalMass, Vector *TotalVelocity ) const; 54 55
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