Public Member Functions
subroutine	read_all_potential (element_symbol, potential_name, potential, zeff_correction, para_env, potential_file_name, potential_section, update_input)
	Read an atomic all-electron potential data set.

subroutine	read_local_potential (element_symbol, potential_name, potential, para_env, potential_file_name, potential_section, update_input)
	Read an atomic local potential data set.

subroutine	read_gth_potential (element_symbol, potential_name, potential, zeff_correction, para_env, potential_file_name, potential_section, update_input)
	Read an atomic GTH potential data set.

Detailed Description

Member Function/Subroutine Documentation

subroutine external_potential_types::read_potential::read_all_potential	(	character(len=*), intent(in)	element_symbol,
		character(len=*), intent(in)	potential_name,
		type(all_potential_type), intent(inout)	potential,
		real(kind=dp), intent(in)	zeff_correction,
		type(mp_para_env_type), intent(in), pointer	para_env,
		character(len=default_path_length), intent(in)	potential_file_name,
		type(section_vals_type), intent(in), pointer	potential_section,
		logical, intent(in)	update_input
	)

Read an atomic all-electron potential data set.

Parameters

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subroutine external_potential_types::read_potential::read_local_potential	(	character(len=*), intent(in)	element_symbol,
		character(len=*), intent(in)	potential_name,
		type(local_potential_type), intent(inout)	potential,
		type(mp_para_env_type), intent(in), pointer	para_env,
		character(len=default_path_length), intent(in)	potential_file_name,
		type(section_vals_type), intent(in), pointer	potential_section,
		logical, intent(in)	update_input
	)

Read an atomic local potential data set.

Parameters

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subroutine external_potential_types::read_potential::read_gth_potential	(	character(len=*), intent(in)	element_symbol,
		character(len=*), intent(in)	potential_name,
		type(gth_potential_type), intent(inout)	potential,
		real(kind=dp), intent(in)	zeff_correction,
		type(mp_para_env_type), intent(in), pointer	para_env,
		character(len=default_path_length), intent(in)	potential_file_name,
		type(section_vals_type), intent(in), pointer	potential_section,
		logical, intent(in)	update_input
	)

Read an atomic GTH potential data set.

Parameters

Literature

History

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