Documentation for module xc_lyp_adiabatic

Calculates the density_scaled Lyp functional when used in adiabatic hybrids. The energy is given as

source: xc_lyp_adiabatic.F
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public Subroutines/Functions:

...
return various information on the functional
...
return various information on the functional

SUBROUTINElyp_adiabatic_lda_eval(rho_set, deriv_set, grad_deriv, lyp_adiabatic_params)

...

Arguments:
POINTER
:: rho_set ...
POINTER
:: deriv_set ...
INTEGER,
INTENT(in)
:: grad_deriv ...
POINTER
:: lyp_adiabatic_params ...

SUBROUTINElyp_adiabatic_lda_info(reference, shortform, needs, max_deriv)

return various information on the functional

Arguments:
CHARACTER(*),
INTENT(out),
OPTIONAL
:: reference string with the reference of the actual functional
CHARACTER(*),
INTENT(out),
OPTIONAL
:: shortform string with the shortform of the functional name
INTENT(inout),
OPTIONAL
:: needs the components needed by this functional are set to true (does not set the unneeded components to false)
INTEGER,
INTENT(out),
OPTIONAL
:: max_deriv ...

SUBROUTINElyp_adiabatic_lsd_eval(rho_set, deriv_set, grad_deriv, lyp_adiabatic_params)

...

Arguments:
POINTER
:: rho_set ...
POINTER
:: deriv_set ...
INTEGER,
INTENT(in)
:: grad_deriv ...
POINTER
:: lyp_adiabatic_params ...

SUBROUTINElyp_adiabatic_lsd_info(reference, shortform, needs, max_deriv)

return various information on the functional

Arguments:
CHARACTER(*),
INTENT(out),
OPTIONAL
:: reference string with the reference of the actual functional
CHARACTER(*),
INTENT(out),
OPTIONAL
:: shortform string with the shortform of the functional name
INTENT(inout),
OPTIONAL
:: needs the components needed by this functional are set to true (does not set the unneeded components to false)
INTEGER,
INTENT(out),
OPTIONAL
:: max_deriv ...