hirshfeld_types.F File Reference

#include "./base/base_uses.f90"

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Data Types
type	hirshfeld_types::hirshfeld_type
	quantities needed for a Hirshfeld based partitioning of real space More...

Modules
module	hirshfeld_types
	The types needed for the calculation of Hirshfeld charges and related functions.

Functions/Subroutines
subroutine, public	hirshfeld_types::create_hirshfeld_type (hirshfeld_env)
	...
subroutine, public	hirshfeld_types::release_hirshfeld_type (hirshfeld_env)
	...
subroutine, public	hirshfeld_types::get_hirshfeld_info (hirshfeld_env, shape_function_type, iterative, ref_charge, fnorm, radius_type, use_bohr)
	Get information from a Hirshfeld env.
subroutine, public	hirshfeld_types::set_hirshfeld_info (hirshfeld_env, shape_function_type, iterative, ref_charge, fnorm, radius_type, use_bohr)
	Set values of a Hirshfeld env.