Public Member Functions
subroutine	xc_pw_laplace_r3d_rs (pw, pw_pool, deriv_method_id, pw_out, tmp_g)
	Calculates the Laplacian of pw.
subroutine	xc_pw_laplace_c1d_gs (pw, pw_pool, deriv_method_id, pw_out, tmp_g)
	Calculates the Laplacian of pw.

Detailed Description

Definition at line 46 of file xc_util.F.

Member Function/Subroutine Documentation

subroutine xc_util::xc_pw_laplace::xc_pw_laplace_r3d_rs	(	type(pw_r3d_rs_type), intent(inout)	pw,
		type(pw_pool_type), intent(in), pointer	pw_pool,
		integer, intent(in)	deriv_method_id,
		type(pw_r3d_rs_type), intent(inout), optional	pw_out,
		type(pw_c1d_gs_type), intent(in), optional	tmp_g )

Calculates the Laplacian of pw.

Parameters

pw	on input: pw of which the Laplacian shall be calculated, on output if pw_out is absent: Laplacian of input
pw_pool	...
deriv_method_id	...
pw_out	if present, save the Laplacian of pw here
tmp_g	scratch grid in reciprocal space, used instead of the internal grid if given explicitly to save memory

Definition at line 145 of file xc_util.F.

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subroutine xc_util::xc_pw_laplace::xc_pw_laplace_c1d_gs	(	type(pw_c1d_gs_type), intent(inout)	pw,
		type(pw_pool_type), intent(in), pointer	pw_pool,
		integer, intent(in)	deriv_method_id,
		type(pw_r3d_rs_type), intent(inout), optional	pw_out,
		type(pw_c1d_gs_type), intent(in), optional	tmp_g )

Calculates the Laplacian of pw.

Parameters

pw	on input: pw of which the Laplacian shall be calculated, on output if pw_out is absent: Laplacian of input
pw_pool	...
deriv_method_id	...
pw_out	if present, save the Laplacian of pw here
tmp_g	scratch grid in reciprocal space, used instead of the internal grid if given explicitly to save memory

Definition at line 198 of file xc_util.F.

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The documentation for this interface was generated from the following file: