xc_rho_cflags_types::xc_rho_cflags_type Type Reference

contains a flag for each component of xc_rho_set, so that you can use it to tell which components you need, which ones you need,.... More...

Data Fields
logical	rho = .FALSE.
logical	rho_spin = .FALSE.
logical	drho = .FALSE.
logical	drho_spin = .FALSE.
logical	norm_drho = .FALSE.
logical	norm_drho_spin = .FALSE.
logical	rho_1_3 = .FALSE.
logical	rho_spin_1_3 = .FALSE.
logical	tau = .FALSE.
logical	tau_spin = .FALSE.
logical	laplace_rho = .FALSE.
logical	laplace_rho_spin = .FALSE.

Detailed Description

contains a flag for each component of xc_rho_set, so that you can use it to tell which components you need, which ones you need,....

Parameters

rho	flags for rho (the total density)
rho_spin	flag for rhoa and rhob (the spin density with LSD)
drho	flag for drho (the gradient of rho)
drho_spin	flag for drhoa and drhob (the gradient of the spin density)
norm_drho	flag for norm_drho (the norm of the gradient of rho)
norm_drho_spin	flag for norm_drhoa, norm_drhob (the norm of the gradient of the spin density)
rho_	1_3: flag for rho**(1.0_dp/3.0_dp)
rho_spin_	1_3: flag for rhoa**(1.0_dp/3.0_dp) and rhob**(1.0_dp/3.0_dp)
tau	flags for the kinetic (KS) part of rho
tau_spin	flags for the kinetic (KS) part of rhoa and rhob

Note

low_level type without retain/release

History

11.2003 created [fawzi] 12.2008 added laplace parts [mguidon]

Author

fawzi

Definition at line 48 of file xc_rho_cflags_types.F.

Field Documentation

rho

logical xc_rho_cflags_types::xc_rho_cflags_type::rho = .FALSE.

Definition at line 49 of file xc_rho_cflags_types.F.

rho_spin

logical xc_rho_cflags_types::xc_rho_cflags_type::rho_spin = .FALSE.

Definition at line 49 of file xc_rho_cflags_types.F.

drho

logical xc_rho_cflags_types::xc_rho_cflags_type::drho = .FALSE.

Definition at line 49 of file xc_rho_cflags_types.F.

drho_spin

logical xc_rho_cflags_types::xc_rho_cflags_type::drho_spin = .FALSE.

Definition at line 49 of file xc_rho_cflags_types.F.

norm_drho

logical xc_rho_cflags_types::xc_rho_cflags_type::norm_drho = .FALSE.

Definition at line 49 of file xc_rho_cflags_types.F.

norm_drho_spin

logical xc_rho_cflags_types::xc_rho_cflags_type::norm_drho_spin = .FALSE.

Definition at line 49 of file xc_rho_cflags_types.F.

rho_1_3

logical xc_rho_cflags_types::xc_rho_cflags_type::rho_1_3 = .FALSE.

Definition at line 49 of file xc_rho_cflags_types.F.

rho_spin_1_3

logical xc_rho_cflags_types::xc_rho_cflags_type::rho_spin_1_3 = .FALSE.

Definition at line 49 of file xc_rho_cflags_types.F.

tau

logical xc_rho_cflags_types::xc_rho_cflags_type::tau = .FALSE.

Definition at line 49 of file xc_rho_cflags_types.F.

tau_spin

logical xc_rho_cflags_types::xc_rho_cflags_type::tau_spin = .FALSE.

Definition at line 49 of file xc_rho_cflags_types.F.

laplace_rho

logical xc_rho_cflags_types::xc_rho_cflags_type::laplace_rho = .FALSE.

Definition at line 49 of file xc_rho_cflags_types.F.

laplace_rho_spin

logical xc_rho_cflags_types::xc_rho_cflags_type::laplace_rho_spin = .FALSE.

Definition at line 49 of file xc_rho_cflags_types.F.

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

• xc/xc_rho_cflags_types.F