qs_dispersion_types Module Reference

Definition of disperson types for DFT calculations. More...

Data Types
type	qs_atom_dispersion_type
type	qs_dispersion_type

Functions/Subroutines
subroutine, public	qs_dispersion_release (dispersion_env)
	...

Variables
integer, parameter, public	dftd2_pp = 1
integer, parameter, public	dftd3_pp = 2
integer, parameter, public	dftd4_pp = 3

Detailed Description

Definition of disperson types for DFT calculations.

Author

JGH (20.10.2008)

Function/Subroutine Documentation

qs_dispersion_release()

subroutine, public qs_dispersion_types::qs_dispersion_release

(

type(qs_dispersion_type), pointer

dispersion_env

)

...

Parameters

dispersion_env

...

Definition at line 141 of file qs_dispersion_types.F.

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Variable Documentation

dftd2_pp

integer, parameter, public qs_dispersion_types::dftd2_pp = 1

Definition at line 29 of file qs_dispersion_types.F.

dftd3_pp

integer, parameter, public qs_dispersion_types::dftd3_pp = 2

Definition at line 30 of file qs_dispersion_types.F.

dftd4_pp

integer, parameter, public qs_dispersion_types::dftd4_pp = 3

Definition at line 31 of file qs_dispersion_types.F.