Documentation for module uff_vdw_radii_table

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

source: uff_vdw_radii_table.F
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public Subroutines/Functions:

SUBROUTINE PURE
get_uff_vdw_radius (z, radius, found)
get UFF vdW radius for a given element

PURE SUBROUTINEget_uff_vdw_radius(z, radius, found)

get UFF vdW radius for a given element

Arguments:
INTEGER,
INTENT(in)
:: z on input, atomic number
REAL(dp),
INTENT(out)
:: radius on output, UFF vdW radius, 0.0 if element not in table
LOGICAL,
INTENT(out)
:: found on output, T if element is in table, F if not