tblite_basis_type::get_cutoff Interface Reference

Get optimal real space cutoff for integral evaluation. More...

Public Member Functions
pure real(wp) function	get_cutoff (self, acc)
	Determine required real space cutoff for the basis set.

Detailed Description

Get optimal real space cutoff for integral evaluation.

Constructor & Destructor Documentation

get_cutoff()

pure real(wp) function tblite_basis_type::get_cutoff::get_cutoff	(	type(basis_type), intent(in)	self,
		real(wp), intent(in), optional	acc )

Determine required real space cutoff for the basis set.

Parameters

[in]	self	Instance of the basis set data
[in]	acc	Accuracy for the integral cutoff

Returns

Required realspace cutoff

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

• /home/runner/work/tblite/tblite/src/tblite/basis/type.f90