Tero's suggestion for direction
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c_cpp
9 days ago
792 B
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// Parameters: // ionPos : original ionPosition or cordinates // bar : neigboring high charge atom // normal : unit normal vector // firstNeighDist: nearest neigbour // thetaDeg : the polar angle in degrees. // phiDeg : the azimuth angle in degrees. Vect rollUpVelocityDirection(const Vect &ionPos, const Vect &bar, const Vect &normal, double firstNeighDist) { // Rolled-up ion position Vect ionPos_r = bar + normal * firstNeighDist; // Direction Vector from original ionPos to rolled-up ionPos Vect dirVec = ionPos_r - ionPos; // Component of dirVec perpendicular to the normal (i.e., parallel to surface) Vect dirVec_tangent = dirVec - normal * dot(dirVec, normal); return normalize(dirVec_tangent); }
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