Routines for an external energy correction on top of a Kohn-Sham calculation. More...

Functions/Subroutines
subroutine, public	ec_ext_energy (qs_env, ec_env, calculate_forces)
	External energy method.

Detailed Description

Routines for an external energy correction on top of a Kohn-Sham calculation.

Function/Subroutine Documentation

subroutine, public ec_external::ec_ext_energy	(	type(qs_environment_type), pointer	qs_env,
		type(energy_correction_type), pointer	ec_env,
		logical, intent(in)	calculate_forces
	)

External energy method.

Parameters

Definition at line 94 of file ec_external.F.

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