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Multispecies_getSumFrac.F90 File Reference

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subroutine Multispecies_getSumFrac (property, value, weights, speciesMask)

Function/Subroutine Documentation

◆ Multispecies_getSumFrac()

subroutine Multispecies_getSumFrac ( integer, intent(in)  property,
real, intent(out)  value,
real, dimension(:), intent(in), optional  weights,
integer  speciesMask 

Given a property name and an array of weights, compute the fraction of the weighted sum of the chosen property. The sum is weighted by the total weight of the species (A). SumFrac = sum over species (weights * propertyValue / A)

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 fraction 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 NSPECIES. The mask works inclusively, that is, the user specifies species that should be _included_ in the calculation.

For example: in a given simulation there are 4 defined species NI56, CO61, MG23, FE51. They are defined in Simulation.h as NI56_SPEC, CO61_SPEC, MG23_SPEC, and FE51_SPEC respectively. If the user wants to get a weighted sum of just NI56 and FE51 then the user would pass in the speciesMask argument where

speciesMask(1) = NI56_SPEC speciesMask(2) = FE51_SPEC 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 mask. For example, if the user wants NI56 weighted twice as heavily as FE51 in the previous example, he would set

weights(1) = 2.0 weights(2) = 1.0 weights(3) = UNDEFINED_REAL weights(4) = UNDEFINED_REAL

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 fraction of a given property weights - an optional array of length 1 or NSPECIES holding the weights for each species. If not provided, weights=1 is assumed. speciesMask - optional array of length NSPECIES specifying the species to be included in the average. 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

EXAMPLE subroutine Eos() use Eos_data, ONLY: implicit none #include "Multispecies.h" .... declarations real, dimension(NSPECIES) :: weights integer, dimension(NSPECIES) :: mask .... executable statements call Multispecies_getSumFrac(A,value,weights,mask) ..... end subroutine Eos



Definition at line 103 of file Multispecies_getSumFrac.F90.