uff_vdw_radii_table.F File Reference

#include "base/base_uses.f90"

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Modules
module	uff_vdw_radii_table
	provides a table for UFF vdW radii: Rappe et al. J. Am. Chem. Soc. 114, 10024 (1992)

Functions/Subroutines
pure subroutine, public	uff_vdw_radii_table::get_uff_vdw_radius (z, radius, found)
	get UFF vdW radius for a given element More...