Documentation for module xc_rho_cflags_types

contains the structure

source: xc_rho_cflags_types.F
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public Types:

xc_rho_cflags_type
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,....

public Subroutines/Functions:

FUNCTION
LOGICAL
xc_rho_cflags_equal (cflags1, cflags2)
return true if the two cflags are equal
sets all the flags to the given value

public Types:

TYPE :: xc_rho_cflags_type

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,....


LOGICAL
:: rho flags for rho (the total density)
LOGICAL
:: rho_spin flag for rhoa and rhob (the spin density with LSD)
LOGICAL
:: drho flag for drho (the gradient of rho)
LOGICAL
:: drho_spin flag for drhoa and drhob (the gradient of the spin density)
LOGICAL
:: norm_drho flag for norm_drho (the norm of the gradient of rho)
LOGICAL
:: norm_drho_spin flag for norm_drhoa, norm_drhob (the norm of the gradient of the spin density)
LOGICAL
:: drhoa_drhob flag for drhoa_drhob (the scalar product of the gradient of the two spin densities)
LOGICAL
:: rho_1_3 ...
LOGICAL
:: rho_spin_1_3 ...
LOGICAL
:: tau flags for the kinetic (KS) part of rho
LOGICAL
:: tau_spin flags for the kinetic (KS) part of rhoa and rhob
LOGICAL
:: laplace_rho ...
LOGICAL
:: laplace_rho_spin ...

FUNCTIONxc_rho_cflags_equal(cflags1, cflags2)

return true if the two cflags are equal

Return Value ::
LOGICAL
Arguments:
INTENT(inout)
:: cflags1 the flags to compare
INTENT(in)
:: cflags2 the flags to compare

SUBROUTINExc_rho_cflags_setall(cflags, value)

sets all the flags to the given value

Arguments:
INTENT(out)
:: cflags the flags to set
LOGICAL,
INTENT(in)
:: value the value to set