molmom.f90 File Reference

Implements the calculation of molecular moments as post processing methods. More...

Data Types
type	tblite_post_processing_molmom::molecular_moments
	Molecular moments as post-processing method. More...

Functions/Subroutines
subroutine, public	tblite_post_processing_molmom::new_molecular_moments (self, param)

Variables
character(len=27), parameter	tblite_post_processing_molmom::label = "Molecular Multipole Moments"

Detailed Description

Implements the calculation of molecular moments as post processing methods.

Function/Subroutine Documentation

new_molecular_moments()

subroutine, public tblite_post_processing_molmom::new_molecular_moments	(	type(molecular_moments), intent(out)	self,
		type(molmom_record), intent(in)	param )

Parameters

[out]	self	Instance of the molecular moments post-processing
[in]	param	Molecular multipole parameterization