excited_states Module Reference

Routines for total energy and forces of excited states. More...

Functions/Subroutines
subroutine, public	excited_state_energy (qs_env, calculate_forces)
	Excited state energy and forces.

Detailed Description

Routines for total energy and forces of excited states.

History

01.2020 created

Author

JGH

Function/Subroutine Documentation

excited_state_energy()

subroutine, public excited_states::excited_state_energy	(	type(qs_environment_type), pointer	qs_env,
		logical, intent(in), optional	calculate_forces
	)

Excited state energy and forces.

Parameters

qs_env	...
calculate_forces	...

History

03.2014 created

Author

JGH

Definition at line 62 of file excited_states.F.

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