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anns_Gprime.f95
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anns_Gprime.f95
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! Bhadeshia et al., ISIJ International, 1998, 38, 495
! http://www.msm.cam.ac.uk/map/nickel/programs/lattice.html
subroutine anns_LP_GPrime(T,XAl,XCr,alpha)
implicit none
! real(kind=8):: X_comp(1)
double precision:: T,XAL,XCr,alpha
Integer(kind=8), parameter:: MaxHN=20
Integer(kind=8):: no_inputs, no_parameters, no_committee
Integer(kind=8):: i,j,k,l,faulse
real(kind=8), allocatable:: weigh(:,:,:),bias(:,:),extrema(:,:)
! for weigh(#input,#neuron,#model in the committee)
! for bias(#input, #model in the committee)
real(kind=8), allocatable:: inputs(:)
integer, allocatable:: hidnodes(:)
real(kind=8):: A,B
real(kind=8):: totalpha, parameters(100000)
real(kind=8):: time1, time2
real(kind=8):: w_main
integer, parameter:: infile=19
open(unit=infile,file='P_GPrime.dat')
read(infile,*) no_inputs
read(infile,*) no_committee
allocate(inputs(no_inputs))
allocate(extrema(no_inputs+1,2))
allocate(hidnodes(no_committee))
w_main=1d0
! do i=1,1
! if(i/=maj_ele) w_main=w_main-X_comp(i)
! end do
w_main=w_main-XAl-XCr
!======== databse ========
! 1 AL 2 CO 3 CR 4 MO 5 NI 6 TA 7 TI 8 W
!======== ========
! 1) Temperature Kelvin (it will be convert to deg. C)
inputs(1)=T-273.15d0
! 2) Nickel (at%)
inputs(2)=w_main
! 3) Cobalt (at%)
inputs(3)=0d0 !X_comp(2)
! 4) Chromium (at%)
inputs(4)=XCr
! 5) Molybdenum (at%)
inputs(5)=0d0 !X_comp(4)
! 6) Tungsten (at%)
inputs(6)=0d0 !X_comp(8)
! 7) Aluminium (at%)
inputs(7)=XAl
! 8) Titantium (at%)
inputs(8)=0d0 !X_comp(7)
! 9) Niobium (at%)
inputs(9)=0d0
!10) Tantalum (at%)
inputs(10)=0d0 !X_comp(6)
!11) Hafnium (at%)
inputs(11)=0d0
!12) Rhenium (at%)
inputs(12)=0d0
!13) Vanadium (at%)
inputs(13)=0d0
!14) Iron (at%)
inputs(14)=0d0
!15) Gallium (at%)
inputs(15)=0d0
! # of weighting is ( input + 1 (output) ) * hidden_nodes
allocate(weigh(no_inputs+1,MaxHN,no_committee))
! # of the bias is hidden_nodes + 1 (output)
allocate(bias(MaxHN+1,no_committee))
! Read the boundary of each input and one output
! extrema(i,1): minimum
! extrema(i,2): Maximum
do i=1,no_inputs+1
read(infile,*) extrema(i,1),extrema(i,2)
end do
do l=1, no_committee
read(infile,*) hidnodes(l)
! ====================================== Read the weighting parameters
no_parameters=(no_inputs+2)*hidnodes(l)+1
parameters=0.0d0
read(infile,*) (parameters(i),i=1,no_parameters)
!=== The format for Singh 1998
k=1
do j=1,hidnodes(l)
bias(j,l)=parameters(k)
k=k+1
do i=1,no_inputs
weigh(i,j,l)=parameters(k)
k=k+1
end do
end do
j=hidnodes(l)+1
bias(j,l)=parameters(k)
k=k+1
i=no_inputs+1
do j=1,hidnodes(l)
weigh(i,j,l)=parameters(k)
k=k+1
end do
end do
do i=1,no_inputs
inputs(i)=(inputs(i)-extrema(i,1))/(extrema(i,2)-extrema(i,1))-0.5d0
end do
totalpha=0.0d0
do l=1, no_committee
B=0.0d0
do j=1,hidnodes(l)
A=0.0d0
do i=1,no_inputs
A=A+inputs(i)*weigh(i,j,l)
end do
i=no_inputs+1
B=B+tanh(A+bias(j,l))*weigh(i,j,l)
end do
i=no_inputs+1
j=hidnodes(l)+1
totalpha=totalpha+(B+bias(j,l)+0.5d0)*(extrema(i,2)-extrema(i,1))+extrema(i,1)
end do
alpha=totalpha/no_committee
close(infile)
return
end subroutine anns_LP_GPrime