minbas_methods Module Reference

Calculate localized minimal basis. More...

Functions/Subroutines
subroutine, public	minbas_calculation (qs_env, mos, quambo, mao, iounit, full_ortho, eps_filter)
	...

Detailed Description

Calculate localized minimal basis.

History

12.2016 created [JGH]

Author

JGH

Function/Subroutine Documentation

minbas_calculation()

subroutine, public minbas_methods::minbas_calculation	(	type(qs_environment_type), pointer	qs_env,
		type(mo_set_type), dimension(:), intent(in)	mos,
		type(dbcsr_p_type), dimension(:), pointer	quambo,
		type(dbcsr_p_type), dimension(:), optional, pointer	mao,
		integer, intent(in), optional	iounit,
		logical, intent(in), optional	full_ortho,
		real(kind=dp), intent(in), optional	eps_filter
	)

...

Parameters

qs_env	...
mos	...
quambo	...
mao	...
iounit	...
full_ortho	...
eps_filter	...

Definition at line 73 of file minbas_methods.F.

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