Functions/Subroutines
subroutine, public	fist_efield_energy_force (qenergy, qforce, qpv, atomic_kind_set, particle_set, cell, efield, use_virial, iunit, charges)
	...

subroutine, public	fist_dipole (fist_env, print_section, atomic_kind_set, particle_set, cell, unit_nr, charges)
	Evaluates the Dipole of a classical charge distribution(point-like) possibly using the berry phase formalism.

Detailed Description

Function/Subroutine Documentation

subroutine, public fist_efield_methods::fist_efield_energy_force	(	real(kind=dp), intent(out)	qenergy,
		real(kind=dp), dimension(:, :), intent(out)	qforce,
		real(kind=dp), dimension(3, 3), intent(out)	qpv,
		type(atomic_kind_type), dimension(:), pointer	atomic_kind_set,
		type(particle_type), dimension(:), pointer	particle_set,
		type(cell_type), pointer	cell,
		type(fist_efield_type), pointer	efield,
		logical, intent(in), optional	use_virial,
		integer, intent(in), optional	iunit,
		real(kind=dp), dimension(:), optional, pointer	charges
	)

...

Parameters

Definition at line 61 of file fist_efield_methods.F.

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subroutine, public fist_efield_methods::fist_dipole	(	type(fist_environment_type), pointer	fist_env,
		type(section_vals_type), pointer	print_section,
		type(atomic_kind_type), dimension(:), pointer	atomic_kind_set,
		type(particle_type), dimension(:), pointer	particle_set,
		type(cell_type), pointer	cell,
		integer, intent(in)	unit_nr,
		real(kind=dp), dimension(:), optional, pointer	charges
	)

Evaluates the Dipole of a classical charge distribution(point-like) possibly using the berry phase formalism.

Parameters

History: [01.2006] created [12.2007] tlaino - University of Zurich - debug and extended

Definition at line 193 of file fist_efield_methods.F.

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