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perplex_parameters.h
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integer h5,h6,h8,h9
integer i6,i7,i8,i9,i10,i11
integer j3,j4,j5,j6,j9
integer k0,k1,k2,k3,k4,k5,k7,k8,k9,k10,k13,k14,k15
integer k16,k17,k18,k19,k20,k21,k22,k23,k24,kd2
integer l2,l3,l5,l6,l7,l8,l9,l10,lchar
integer m0,m1,m2,m3,m4,m6,m7,m8,m9,m10,m11,m12,m13,m14,m15
integer m16,m17,m18
integer msp,mst,mdim,ms1
integer n0,n1,n2,n3,n4,n5,n6,n7,n8,n9,n10,n11,n12,n13,nsp,nx,ny
! n0 - starting LUN-1 for fractionation files, these files may
! have LUNs from n0+1 up to n0+k23
! n1 - problem definition file.
! n2 - thermodynamic data file.
! n3 - print output file
! n4 - plot output file 1
! n5 - plot output file 2 (bplot)
! n6 - reaction list file
! n7 - unused
! n8 - locally opened and closed files
! n9 - solution model file
! n10 - autorefine file 1
! n11 - autorefine file 2
! n12 - failed result file (fld)
! n13 - aq error file (pts)
parameter (n10=7,n11=8,n1=11,n2=12,n3=13,n4=14,n5=15,n6=16,n7=17)
parameter (n8=18,n9=19,n12=20,n13=21,n0=30)
! msp - max number of species on a solution identisite
! mst - max number of distinct identisites per solution
! mdim - hard constraint on max number of dimensions
! for a solution model composition space.
parameter (mst=2,mdim=8,msp=mdim+2,ms1=msp-1)
! h5 - max number of saturated components
! h6 - max number of saturated composants in any subcomposition
! h8 - max number of excluded phases
! h9 - max number of solutions
parameter (h5=5,h6=500,h8=200,h9=30)
! i6 - maximum number of independent chemical potentials (or
! fugacity/activities).
! i7 - number of system props used in werami
! i8 - number of properties saved for each phase and
! for the bulk composite, less than i8 properties
! may be read from the bulk property file.
! if i8 is changed then adjust:
! pt2prp - frendly.f
! l2p - werami.f
! prname - werami.f
! i9 - max number of solutions in solution model file
! i10 - max number of option values in perplex_option.dat
! i11 - max number of dependent properties in a tab format file
parameter (i6=2,i7=20,i8=28,i9=200,i10=50,i11=100)
! j3 - max number of ordered species
! j4 - max number of species in the definition of a dependent species
! j5 - max number of stoichiometric limits on an ordered species
! j6 - max number of terms in a stoichiometric limit on an ordered species
! j9 - max number of divariant assemblages
parameter (j3=4,j4=6,j5=8,j6=8,j9=160000)
! k0 - max number of database components
! k1 - max number of compounds
! k2 - max number of invariant and univariant compound
! equilibria and max number of divariant compound
! assemblages for constrained bulk composition
! calculations
! k3 - max number of distinct phase (as opposed to
! pseudocompound assemblages)
! k4 - number of parameters in a Perple_X EoS
! k5 - max total number of active components
! k9 - maximum number of true compounds with lambda transitions
! k10 - max number of true compounds
! k13 - pseudocompound parameter array dimension
! k14 - number of parameters in the data base EoS
! k15 - number of elastic moduli parameters in the emod array
! k16 - max number of make definitions
! k17 - max number of entities in a make definition
! k18 - max number of "x" coordinates saved for pseudocompunds,
! this cannot exceed (k1-k10)*mst*(msp-1), but in general
! will be much smaller (this parameter is similar to k13).
! k19 - max number of refinement points for adaptive optimization.
! k20 - max number of "z" coordinates saved for pseudocompounds
! generated by adaptive refinement, max value = k21*m4,
! but usually much smaller (see k18).
! k21 - max number of pseudocompounds for adaptive refinement.
! k23 - max number of phases to be fractionated.
! k24 - max number of coordinates for the pseudocompounds of a
! prismatic solution.
parameter (k0=25,k1=1500000,k2=100000,k3=2000,k4=32,k5=12)
parameter (k7=k5+1,k8=k5+2)
parameter (k9=30,k10=400,k14=18,k15=6,k16=70)
parameter (k17=7,k18=29*k1)
parameter (k19=3*k5,k21=2000000,k20=(mdim+3)*k21)
parameter (k22=mdim*k19,k23=25)
parameter (k13=mdim*k21,k24=k13*mst)
! l2 - max number of independent potential variables
! l3 - max number of variables for gridded min and graphics (l2+2)
! l5 - max number of coordinates along a univariant curve
! l6 - max number of iterations in lp optimization, in
! theory this may be up to ca 5*(k1+k5), generally
! convergence occurs in less than 100 iterations.
! l7 - max number of grid points along an axis for
! constrained minimization on a 2-d grid. this
! array is not essential.
! l8 - max number of levels for multilevel grids
! l9 - max number of aqueous solute species in minimization programs.
! l10 - max number of parameters stored in caq for each phase.
! nsp - max number of species in fluid speciation routines
parameter (l2=5,l3=l2+2,l5=1000,l6=1000,l7=2048,l8=10,l9=100,
* nsp=17,l10=nsp+l9+4)
! m0 - max number of terms for a species site fraction?
! m1 - max number of terms in excess function
! m2 - max order of term in excess function
! m3 - number of parameters for excess function coefficients
! m4 - max number of endmembers in a solution model,
! should include dependent endmembers? this cannot
! exceed msp**mst+1, but will generally be MUCH
! smaller.
! m6 - max number of "lambda" transitions per true compound
! m7 - number of "lambda" parameters per transition
! m8 - maximum number of parameters to describe T dependent ordering.
! m9 - maximum number of true compounds with T-dependent ordering.
! m10 - maximum number of sites in Sconf model
! m11 - maximum number of species - 1 in Sconf model
! m12 - maximum order of terms in Sconf model
! m13 - maximum number of terms in endmember fraction
! function expressed as a function of dependent
! endmember
! m14 - max order of term in endmember fraction
! function expressed as a function of dependent
! endmember
! m15 - maximum number of dependent endmembers for a
! reciprocal solution
! m16 - max number of parameters in a redkich-kistler L
! m17 - max order of redlich-kistler expansion
! m18 - max number of pairwise terms in a redlich-kistler expansion
parameter (m0=8,m1=60,m2=8,m3=3,m4=20,m6=5,m7=15,m8=9,
* m9=10,m10=6,m11=6,m12=4,m13=8,m14=2,m15=10,m16=5,m17=5,
* m18=6)
! nx - number of x-grid nodes in a contour data grid
! ny - number of y-grid modes in a contour data grid
parameter (nx=500,ny=500)
c lchar - maximum length of character strings
parameter (lchar=400)
! NOTE: increasing parameter K5 requires changes to the following
! format statements:
! 1000 in routine bulkck
! 1000 in routine bulktst
! 1150 in routine input1
! 4000 in main in program build
! the following are dependent parameters (also k7,k8)
parameter (kd2=k8*35)