ec_efield_local Module Reference

Calculates the energy contribution and the mo_derivative of a static electric field (nonperiodic) More...

Functions/Subroutines
subroutine, public	ec_efield_local_operator (qs_env, ec_env, calculate_forces)
	...
subroutine, public	ec_efield_integrals (qs_env, ec_env, rpoint)
	...

Detailed Description

Calculates the energy contribution and the mo_derivative of a static electric field (nonperiodic)

History

Adjusted from qs_efield_local

Author

JGH (10.2019)

Function/Subroutine Documentation

ec_efield_local_operator()

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

...

Parameters

qs_env	...
ec_env	...
calculate_forces	...

Definition at line 75 of file ec_efield_local.F.

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ec_efield_integrals()

subroutine, public ec_efield_local::ec_efield_integrals	(	type(qs_environment_type), pointer	qs_env,
		type(energy_correction_type), pointer	ec_env,
		real(dp), dimension(3), intent(in)	rpoint
	)

...

Parameters

qs_env	...
ec_env	...
rpoint	...

Definition at line 108 of file ec_efield_local.F.

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