tblite_solvation_cds::cds_input Type Reference

Input for CDS model. More...

Data Fields
real(wp)	probe
	Probe radius of the solvent.
integer	nang
	Number of angular grid points for integration.
real(wp), dimension(:), allocatable	rad
	Van-der-Waals radii for each species.
real(wp), dimension(:), allocatable	tension
	Surface tension for each species.
real(wp), dimension(:), allocatable	hbond
	Hydrogen bonding strength for each species.

Detailed Description

Input for CDS model.

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The documentation for this type was generated from the following file:

• /home/runner/work/tblite/tblite/src/tblite/solvation/cds.f90