neb_md_utils.F File Reference

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Modules
module	neb_md_utils
	Module with utility to perform MD Nudged Elastic Band Calculation.

Functions/Subroutines
subroutine, public	neb_md_utils::neb_initialize_velocity (vels, neb_section, particle_set, i_rep, iw, globenv, neb_env)
	Initialize velocities of replica in an MD optimized algorithm within NEB. More...
subroutine, public	neb_md_utils::control_vels_a (vels, particle_set, tc_section, vc_section, output_unit, istep)
	Control on velocities - I part. More...
subroutine, public	neb_md_utils::control_vels_b (vels, forces, vc_section)
	Control on velocities - II part. More...
subroutine, public	neb_md_utils::get_temperatures (vels, particle_set, temperatures, ekin, factor)
	Computes temperatures. More...