dimer_methods.F File Reference

#include "../base/base_uses.f90"

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Modules
module	dimer_methods
	Contains types used for a Dimer Method calculations.

Functions/Subroutines
recursive subroutine, public	dimer_methods::cp_eval_at_ts (gopt_env, x, f, gradient, calc_force)
	Computes the dimer energy/gradients (including the rotation of the dimer) More...