qmmmrebind.parameterize.unit_vector_N

qmmmrebind.parameterize.unit_vector_N(u_BC, u_AB)[source]

Calculates unit normal vector perpendicular to plane ABC.

Parameters

  • u_BC ((.. , 1, 3) array) – Unit vector from atom B to atom C.

  • u_AB ((…, 1, 3) array) – Unit vector from atom A to atom B.

Returns

u_N – Unit normal vector perpendicular to plane ABC.

Return type

(…, 1, 3) array

Examples

>>> u_BC = [0.34040355, 0.62192853, 0.27011169]
>>> u_AB = [0.28276792, 0.34232697, 0.02370306]
>>> unit_vector_N(u_BC, u_AB)
array([-0.65161629,  0.5726879 , -0.49741811])