qs_external_potential Module Reference

Routines to handle an external electrostatic field The external field can be generic and is provided by user input. More...

Functions/Subroutines
subroutine, public	external_e_potential (qs_env)
	Computes the external potential on the grid. More...
subroutine, public	external_c_potential (qs_env, calculate_forces)
	Computes the force and the energy due to the external potential on the cores. More...

Detailed Description

Routines to handle an external electrostatic field The external field can be generic and is provided by user input.

Function/Subroutine Documentation

external_e_potential()

subroutine, public qs_external_potential::external_e_potential

(

type(qs_environment_type), pointer

qs_env

)

Computes the external potential on the grid.

Parameters

qs_env

...

Date

12.2009

Author

Teodoro Laino [tlaino]

Definition at line 66 of file qs_external_potential.F.

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external_c_potential()

subroutine, public qs_external_potential::external_c_potential	(	type(qs_environment_type), pointer	qs_env,
		logical, optional	calculate_forces
	)

Computes the force and the energy due to the external potential on the cores.

Parameters

qs_env	...
calculate_forces	...

Date

12.2009

Author

Teodoro Laino [tlaino]

Definition at line 170 of file qs_external_potential.F.

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