JDFTx  1.7.0
FluidMixture::Outputs Struct Reference

Optional outputs for operator() and getFreeEnergy(), retrieve results for all non-null pointers. More...

#include <FluidMixture.h>

Public Member Functions

 Outputs (ScalarFieldArray *N=0, vector3<> *electricP=0, ScalarFieldTilde *Phi_rhoExternal=0, ScalarFieldArray *psiEff=0, EnergyComponents *Phi=0)
 initialize all the above to null
 

Public Attributes

ScalarFieldArrayN
 site densities
 
vector3electricP
 total electric dipole moment in cell (useful only with multipole-based IdealGas's)
 
ScalarFieldTildePhi_rhoExternal
 derivative of free energy w.r.t rhoExternal
 
ScalarFieldArraypsiEff
 Estimate ideal gas effective potentials (useful only when no electric field or potential on non-indep sites)
 
EnergyComponentsPhi
 retrieve fluid energy components
 

Detailed Description

Optional outputs for operator() and getFreeEnergy(), retrieve results for all non-null pointers.


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