dimer_utils.F File Reference

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

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Modules
module	dimer_utils
	Contains utilities for a Dimer Method calculations.

Functions/Subroutines
subroutine, public	dimer_utils::rotate_dimer (nvec, theta, dt)
	Performs a rotation of the unit dimer vector.
subroutine, public	dimer_utils::update_dimer_vec (dimer_env, motion_section)
	Updates the orientation of the dimer vector in the input file.
subroutine, public	dimer_utils::get_theta (gradient, dimer_env, norm)
	This function orthonormalize the vector for the rotational search.

Variables
real(kind=dp), parameter, public	dimer_utils::dimer_thrs = EPSILON(0.0_dp)*1.0E4_dp