iao_types.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Data Types
type	iao_types::iao_env_type

Modules
module	iao_types
	Calculate ntrinsic atomic orbitals and analyze wavefunctions.

Functions/Subroutines
subroutine, public	iao_types::iao_set_default (iao_env)
	...
subroutine, public	iao_types::iao_read_input (iao_env, iao_section, cell)
	...
subroutine, public	iao_types::organise_printout_for_rose (qs_env, orb_basis_set_list)
	Prints fragmented overlap matrices for interface with ROSE.
subroutine, public	iao_types::print_fragment_association (qs_env, moments, unit_nr)
	Associates IBO centers to fragments.