Functions/Subroutines
subroutine, public	create_nonlinear_optics_section (section)
	Define the nonlinear susceptibility model, conventions, and input parameters.
subroutine, public	read_nlo_input (qs_env, nlo_env)
	Read the activated input into nlo_env and reject invalid frequency combinations.
subroutine, public	nlo_frequency_case_count (frequencies, order, n_frequency_combinations)
	Count independent frequency combinations without materializing the Cartesian product.
subroutine, public	nlo_frequency_case (frequencies, order, i_case, energy_ev, zero_output)
	Resolve one Cartesian-product case, preserving SAME_AS and MINUS_OF links.

Detailed Description

Function/Subroutine Documentation

subroutine, public nlo_read_input::create_nonlinear_optics_section ( type(section_type), pointer section )

Define the nonlinear susceptibility model, conventions, and input parameters.

Parameters

section Created NONLINEAR_OPTICS section of the input tree.

Definition at line 53 of file nlo_read_input.F.

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subroutine, public nlo_read_input::read_nlo_input	(	type(qs_environment_type), pointer	qs_env,
		type(nlo_type), intent(out)	nlo_env )

Read the activated input into nlo_env and reject invalid frequency combinations.

Parameters

qs_env	Converged QS environment containing the parsed input.
nlo_env	Validated settings for the nonlinear response.

Definition at line 264 of file nlo_read_input.F.

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subroutine, public nlo_read_input::nlo_frequency_case_count	(	type(nlo_frequency_type), dimension(5), intent(in)	frequencies,
		integer, intent(in)	order,
		integer, intent(out)	n_frequency_combinations )

Count independent frequency combinations without materializing the Cartesian product.

Parameters

frequencies	Parsed incident-frequency definitions.
order	Number of active incident frequencies.
n_frequency_combinations	Product of independent range lengths.

Definition at line 533 of file nlo_read_input.F.

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subroutine, public nlo_read_input::nlo_frequency_case	(	type(nlo_frequency_type), dimension(5), intent(in)	frequencies,
		integer, intent(in)	order,
		integer, intent(in)	i_case,
		real(kind=dp), dimension(5), intent(out)	energy_ev,
		logical, intent(out)	zero_output )

Resolve one Cartesian-product case, preserving SAME_AS and MINUS_OF links.

Parameters

frequencies	Parsed incident-frequency definitions.
order	Number of active incident frequencies.
i_case	One-based index of the requested range combination.
energy_ev	Resolved incident photon energies in eV.
zero_output	Whether the sum of incident photon energies is zero.

Definition at line 569 of file nlo_read_input.F.

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