MDFloat

/*
    This file represents a hardware module that performs a subset of the
    calculations necessary for each timestep in a molecular dynamics
    simulation.  This takes in the data for two atoms in single
    precision floating point format and produces the Columbic forces
    in the X, Y, and Z direction.
*/

void MDFloat(float atomOneCurrentX_in, float atomOneCurrentY_in, float atomOneCurrentZ_in,
             float atomOneCurrentCharge_in, float atomTwoCurrentX_in, float atomTwoCurrentY_in,
             float atomTwoCurrentZ_in, float atomTwoCurrentCharge_in, float tableLookup_in,
             float& CoulombicForceX_out, float& CoulombicForceY_out, float& CoulombicForceZ_out)
{
    float twelfthTerm ;
    float sixthTerm ;
    float radiusToTheTwelfth ;
    float radiusToTheSixth ;
    float radiusSquared ;
    float distanceXSquared ;
    float distanceYSquared ;
    float distanceZSquared ;
    float differenceX ;
    float differenceY ;
    float differenceZ ;
    float vcoul ;
    float rinvsq ;
    float rinv ;

    differenceX = atomOneCurrentX_in - atomTwoCurrentX_in ;
    differenceY = atomOneCurrentY_in - atomTwoCurrentY_in ;
    differenceZ = atomOneCurrentZ_in - atomTwoCurrentZ_in ;

    distanceXSquared = differenceX * differenceX ;
    distanceYSquared = differenceY * differenceY ;
    distanceZSquared = differenceZ * differenceZ ;

    radiusSquared = distanceXSquared + distanceYSquared + distanceZSquared ;

    rinv = (tableLookup_in * (((radiusSquared * tableLookup_in) * tableLookup_in))) ;

    vcoul = atomOneCurrentCharge_in * atomTwoCurrentCharge_in * rinv ;

    rinvsq = rinv * rinv ;

    CoulombicForceX_out = vcoul * rinvsq * differenceX ;
    CoulombicForceY_out = vcoul * rinvsq * differenceY ;
    CoulombicForceZ_out = vcoul * rinvsq * differenceZ ;
}