(git:c5411e0)
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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. |
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,....
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 |
Definition at line 48 of file xc_rho_cflags_types.F.
logical xc_rho_cflags_types::xc_rho_cflags_type::rho = .FALSE. |
Definition at line 49 of file xc_rho_cflags_types.F.
logical xc_rho_cflags_types::xc_rho_cflags_type::rho_spin = .FALSE. |
Definition at line 49 of file xc_rho_cflags_types.F.
logical xc_rho_cflags_types::xc_rho_cflags_type::drho = .FALSE. |
Definition at line 49 of file xc_rho_cflags_types.F.
logical xc_rho_cflags_types::xc_rho_cflags_type::drho_spin = .FALSE. |
Definition at line 49 of file xc_rho_cflags_types.F.
logical xc_rho_cflags_types::xc_rho_cflags_type::norm_drho = .FALSE. |
Definition at line 49 of file xc_rho_cflags_types.F.
logical xc_rho_cflags_types::xc_rho_cflags_type::norm_drho_spin = .FALSE. |
Definition at line 49 of file xc_rho_cflags_types.F.
logical xc_rho_cflags_types::xc_rho_cflags_type::rho_1_3 = .FALSE. |
Definition at line 49 of file xc_rho_cflags_types.F.
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.
logical xc_rho_cflags_types::xc_rho_cflags_type::tau = .FALSE. |
Definition at line 49 of file xc_rho_cflags_types.F.
logical xc_rho_cflags_types::xc_rho_cflags_type::tau_spin = .FALSE. |
Definition at line 49 of file xc_rho_cflags_types.F.
logical xc_rho_cflags_types::xc_rho_cflags_type::laplace_rho = .FALSE. |
Definition at line 49 of file xc_rho_cflags_types.F.
logical xc_rho_cflags_types::xc_rho_cflags_type::laplace_rho_spin = .FALSE. |
Definition at line 49 of file xc_rho_cflags_types.F.