topology_cif Module Reference

Handles CIF (Crystallographic Information File) files. More...

Functions/Subroutines
subroutine, public	read_coordinate_cif (topology, para_env, subsys_section)
	Performs the real task of reading the proper information from the CIF file. More...

Detailed Description

Handles CIF (Crystallographic Information File) files.

Author

Teodoro Laino [tlaino]

Date

12.2008

Function/Subroutine Documentation

read_coordinate_cif()

subroutine, public topology_cif::read_coordinate_cif	(	type(topology_parameters_type)	topology,
		type(mp_para_env_type), pointer	para_env,
		type(section_vals_type), pointer	subsys_section
	)

Performs the real task of reading the proper information from the CIF file.

Parameters

topology	...
para_env	...
subsys_section	...

Date

12.2008

Format Information implemented:

_chemical_name _chemical_formula_sum _cell_length_a _cell_length_b _cell_length_c _cell_angle_alpha _cell_angle_beta _cell_angle_gamma _symmetry_space_group_name_h-m _symmetry_equiv_pos_as_xyz _space_group_symop_operation_xyz _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z

Author

Teodoro Laino [tlaino]

Definition at line 87 of file topology_cif.F.

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