Sourcefiles/verlet.cpp
/**
 * @fn void verletStep1Atoms(Atoms &atoms,double timestep)
 * @brief calculates the first step with a variable mass of the atom
 * @param atoms
 * @param timestep
 */
@fn void verletStep1Atoms(Atoms &atoms,double timestep)
@brief calculates the first step with a variable mass of the atom
@param atoms
@param timestep
@fn void verletStep1Atoms ( Atoms &atoms double timestep ) @brief calculates the first step with a variable mass of the atom @param atoms @param timestep
void verletStep1Atoms(Atoms &atoms,double timestep) {
    for(int i = 0; i < atoms.nb_atoms(); i++) {
        atoms.velocities.col(i) += 0.5 * atoms.forces.col(i) * timestep/atoms.mass(i);
    }
    atoms.positions += atoms.velocities*timestep;
}
void verletStep1Atoms ( Atoms & atoms , double timestep ) { for ( int i = 0 ; i < atoms . nb_atoms ( ) ; i ++ ) { atoms . velocities . col ( i ) += 0.5 * atoms . forces . col ( i ) * timestep / atoms . mass ( i ) ; } atoms . positions += atoms . velocities * timestep ; }
@fn void verletStep1Atoms(Atoms &atoms,double timestep)
 @brief calculates the first step with a variable mass of the atom
 @param atoms
 @param timestep
@fn void verletStep1Atoms ( Atoms &atoms double timestep ) @brief calculates the first step with a variable mass of the atom @param atoms @param timestep
//velocity with an individual mass for each atom //position