tblite_coulomb_ewald::get_value Interface Reference

Interaction at specified distance. More...

Public Member Functions
pure real(wp) function	get_value (self, dist, alpha, vol)

Detailed Description

Interaction at specified distance.

Constructor & Destructor Documentation

get_value()

pure real(wp) function tblite_coulomb_ewald::get_value::get_value ( class(term_type), intent(in) self, real(wp), intent(in) dist, real(wp), intent(in) alpha, real(wp), intent(in) vol )

virtual

Parameters

[in]	self	Instance of interaction
[in]	dist	Distance between the two atoms
[in]	alpha	Parameter of the Ewald summation
[in]	vol	Volume of the real space unit cell

Returns

Value of the interaction

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

• /home/runner/work/tblite/tblite/src/tblite/coulomb/ewald.f90