rmsd.F File Reference

#include "./base/base_uses.f90"

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Modules
module	rmsd
	Defines functions to perform rmsd in 3D.

Functions/Subroutines
subroutine, public	rmsd::rmsd3 (particle_set, r, r0, output_unit, weights, my_val, rotate, transl, rot, drmsd3)
	Computes the RMSD in 3D. Provides also derivatives.