Multispecies_getSumSqr(integer(in) :: property, real(out) :: value, real(in),optional :: weights(:), integer(in),optional :: speciesMask(NSPECIES))
Given a property name and an array of weights, compute the weighted sum squared of the chosen property. SumSqr = sum over species( weight * (propertyValue **2) ) Weights should be an array of length equal to the number of species (NSPECIES). If not provided, weights are assumed equal to one. The default is to return the weighted sum for all species. A user, however, by passing in the optional argument speciesMask can choose to include only species of interest. speciesMask is an array of integers of size Number of Species in length The speciesMask works inclusively, that is the user specifies species that should be _included_ in the calculation. For example: in a given simulation if there are 4 defined species NI56, CO61, MG23, FE51 and the user wants to get a weighted sum of just NI56 and FE51 then the user would pass in the speciesMask arguement where speciesMask(1) = NI56 speciesMask(2) = FE51 speciesMask(3) = UNDEFINED_INT speciesMask(4) = UNDEFINED_INT Order does not matter, however the order of the weights array MUST be the same as the speciesMask. The property is an integer because it is defined in Multispecies.h description property(defined as integer in Multispecies.h) -------------------------------------------------------------- numTotal A Total number of protons and neutrons in nucleus numPositive Z Atomic number; number of protons in nucleus numNeutral N Number of neutrons numNegative E Number of electrons bindingEnergy EB Binding energy adiabatic index GAMMA Ratio of heat capacities: Cp / Cv
property - name of property, as an integer defined in Multispecies.h value - returned weighted sum squared of the given property weights - an optional array of length 1 or NSPECIES holding the weights for each species. If not provided, weight=1 is assumed. speciesMask - an optional array of length NSPECIES specifying the wanted species for the average calculation If not provided, all species are used.
Species properties are normally set in Simulation_initSpecies. The simulation's Config file defines the number and name of species, as in SPECIES AIR SPECIES SF6
subroutine Eos() use Eos_data, ONLY: implicit none .... declarations real, dimension(NSPECIES) :: weights integer, dimension(NSPECIES) :: mask .... executable statements call Multispecies_getSumSqr(A,value,weights,mask) ..... end subroutine Eos