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impureza.f90
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impureza.f90
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SUBROUTINE sortimpureza()
USE parametros
IMPLICIT NONE
INTEGER :: i,j,l,k,m,q,w,y,u, nimpur, impboraux, impboraux2, counter, left, right, &
num_hex, aux
INTEGER, DIMENSION(:,:), ALLOCATABLE :: sitiosorteados2
INTEGER, DIMENSION(:,:,:), ALLOCATABLE :: sitiosorteados
! INTEGER, INTENT(OUT) :: impureza(namostras,N,2,P+1)
INTEGER :: impurezaux(N,2,P+1)
REAL(KIND=8) :: num_aleatorio
REAL(KIND=8) :: vetor(3,2), base1(2), base2(2), posicao(2),&
pos_center(2), diff(2)
LOGICAL :: verificador
IF(assm.NE.0) THEN
PRINT *, "'assm' should be 0. You may also check the 'impureza.f90' file. Stopping."
STOP
END IF
impureza=0
IF(concentracao.LE.0.d0) RETURN
!Provides a ordered distribution of impurities
IF(ordered==1) THEN
IF(namostras/=1) THEN
PRINT *, "Verify namostras in the parametros.f90. It should be 1."
STOP
END IF
PRINT *, "Ordered dist. with ctc of ~ 0.28!"
!Forca arranjo periodico de impurezas
DO i=1, N
impureza(1,i,2,1)=(P+1)/2
DO j=1, (P+1)/2
impureza(1,i,2,1+j)=2*j-1
END DO
END DO
impureza(:,1,1,:)=0
RETURN
END IF
CALL inicializa_semente()
IF(concentracao>1.d0) THEN
PRINT *, "Parameter 'concentracao' should be <=1! Stopping."
STOP
END IF
! nimpur=concentracao*(N*(2*P-1)-P+1)
num_hex=N*(2*P-1-assm)-P+1
nimpur=concentracao*num_hex
IF(ordered==2) THEN
nimpur=N*(P+1)/2
PRINT *, "Random dist. with ctc of ordered dist. ~ 0.28!"
END IF
ALLOCATE(sitiosorteados(namostras,nimpur,2))
DO m=1, namostras
DO l=1, nimpur
DO
!i will indicate one column, it's odd for left and even for right
CALL RANDOM_NUMBER(num_aleatorio)
i=num_aleatorio*2*N+1
IF(MOD(i,2)==1 .AND. P==1) CYCLE !Avoid impurities at left with P=1
CALL RANDOM_NUMBER(num_aleatorio)
! j=num_aleatorio*(P-MOD(i,2))+1
j=num_aleatorio*( P - MOD(i,2)*(1-assm) )+1
verificador=.TRUE.
IF(i.EQ.1) THEN
verificador=.FALSE.
ELSE
DO k=1, l-1
IF( (i.EQ.sitiosorteados(m,k,1)).AND.&
(j.EQ.sitiosorteados(m,k,2)) ) THEN
verificador=.FALSE.
EXIT
END IF
END DO
END IF
IF(verificador) EXIT
END DO
impureza(m,(i+1)/2,2-MOD(i,2),1)=impureza(m,(i+1)/2,2-MOD(i,2),1)+1
impureza(m,(i+1)/2,2-MOD(i,2),1+impureza(m,(i+1)/2,2-MOD(i,2),1))=j
sitiosorteados(m,l,1)=i
sitiosorteados(m,l,2)=j
END DO
END DO
!Cleans part of the central device to extend the contacts
IF(Nclean.NE.0) THEN
impureza(:,1:Nclean,:,1)=0
impureza(:,Nclean+1,1,1)=0
impureza(:,N-Nclean+1:N,:,1)=0
END IF
!Cleans part of the central device to extend the contacts
IF(cleanHoriz.NE.0) THEN
IF(assm.NE.0) THEN
PRINT *, "impureza.f90: Clean some impurerities horizotally was not modified to work with assm=1. Stopping."
STOP
END IF
y=1; u=N
IF(nlin.NE.0) THEN
y=cami; u=camf+1
END IF
DO m=1,namostras
DO i=y,u !Loop over number of layers that composes the central device
DO j=1,2 !Loop over left or right layer
IF(i==camf+1 .AND. j==2) CYCLE
q = 0
DO k=1,impureza(m,i,j,1) !Loop over Num. of impurities in this layer
q = q + 1 !we define q instead of using k cause when a impurity is removed we need to start checking the array of imp. at the same position but k moves on.
IF( impureza(m,i,j,1+q) <= cleanHoriz .OR. impureza(m,i,j,1+q) > (P-MOD(j,2))-cleanHoriz ) THEN
DO l=1,impureza(m,i,j,1)-q !This removes one imp. of the array by sliding the entry on top of it.
impureza(m,i,j,q+l)=impureza(m,i,j,1+q+l)
END DO
q = q - 1 !To continue checking the array of imp. at the same position where a bad imp. was found.
impureza(m,i,j,1) = impureza(m,i,j,1) - 1
END IF
END DO !Loop over Num. of imp.
END DO !Loop over left or right
END DO !Loop over layers
END DO !Loop over sample
END IF
! !Cleans horizotally impurities of the edges
! IF(cleanHoriz.NE.0) THEN
! IF(ordered.NE.0) THEN
! PRINT *, "'cleanHoriz' and 'ordered' shall not be .NE. 0 at the same time. &
! &Check 'parametros.f90' . Stopping."
! STOP
! END IF
! IF(assm.NE.0) THEN
! PRINT *, "impureza.f90: Clean some impurerities horizotally was not modified to work with assm=1. Stopping."
! STOP
! END IF
! impureza=0
! impboraux2=0
! impboraux=impborda
! IF(impborda.EQ.0) impboraux=1
! IF(impborda.NE.0) impboraux2=1
! impureza(:,:,1,1)=P-1-2*(cleanHoriz+impboraux2) !esq
! impureza(:,:,2,1)=P -2*cleanHoriz !dir
! DO i=1,impborda-1
! impureza(:,:,1,1+i)=i
! END DO
! DO i=1,P-1-2*cleanHoriz-2*impborda
! impureza(:,:,1,1+impboraux-1+i)=impborda+cleanHoriz+i
! END DO
! DO i=1,impborda-1
! impureza(:,:,1,1+impboraux-1+P-1-2*cleanHoriz-2*impborda+i)=P-1-(impboraux-1)+i
! END DO
! DO i=1,impborda
! impureza(:,:,2,1+i)=i
! END DO
! DO i=1,P-2*cleanHoriz-2*impborda
! impureza(:,:,2,1+impborda+i)=impborda+cleanHoriz+i
! END DO
! DO i=1,impborda
! impureza(:,:,2,1+impborda+P-2*cleanHoriz-2*impborda+i)=P-impborda+i
! END DO
! impureza(:,1,1,:)=0
! END IF
!Creates clusters of impurities
IF(radio .NE. 0.d0) THEN
IF(assm.NE.0) THEN
PRINT *, "impureza.f90: Clusters of impurities was not modified to work with assm=1. Stopping."
STOP
END IF
ALLOCATE(sitiosorteados2(num_hex,3))
vetor(1,:)=(/1.d0,0.d0/)
vetor(2,:)=(/-0.5d0, SQRT(3.d0)/2.d0/)
vetor(3,:)=(/-0.5d0,-SQRT(3.d0)/2.d0/)
base1=vetor(1,:)-vetor(3,:)
base2=vetor(1,:)-vetor(2,:)
!Loops over each cluster
DO m=1, namostras;
counter=0
impurezaux(:,:,:)=0
Ot: DO y=1,nimpur
q=(sitiosorteados(m,y,1)+1)/2
w=sitiosorteados(m,y,2)
l=MOD(sitiosorteados(m,y,1)+1,2)+1
IF(l==1) THEN
IF(q==1) CYCLE !Don't let cluster center be on the left of first layer
left=1; right=0
ELSE
left=0; right=1
END IF
pos_center=q*base1+q*base2-2.5d0*vetor(1,:)*left-vetor(1,:)*right
pos_center(2)=(w+0.5d0*left)*SQRT(3.d0)
!Looking for hexagon inside of the cluster
DO i=1,N; DO k=1,2
IF(k==1) THEN
IF(i==1) CYCLE
left=1; right=0;
ELSE
left=0; right=1
END IF
posicao=i*base1+i*base2-2.5d0*vetor(1,:)*left-vetor(1,:)*right
DO j=1,P-1*left
posicao(2) =(j+0.5d0*left)*SQRT(3.d0)
diff=posicao-pos_center
IF( SQRT(diff(1)**2+diff(2)**2)<=radio ) THEN
verificador=.FALSE.
DO u=1, counter
IF( (i.EQ.sitiosorteados2(u,1)) .AND.&
(j.EQ.sitiosorteados2(u,2)) .AND.&
(k.EQ.sitiosorteados2(u,3)) ) THEN
verificador=.TRUE.
EXIT
END IF
END DO
IF(verificador) CYCLE
impurezaux(i,k,1)=impurezaux(i,k,1)+1
aux =impurezaux(i,k,1)
impurezaux(i,k,aux+1)=j
counter=counter+1
sitiosorteados2(counter,:)=[i,j,k]
IF(counter==nimpur) EXIT Ot
END IF
END DO !DO j=1,P-1*left
END DO; END DO !DO i=1,N; DO k=1,2
impureza(m,:,:,:)=impurezaux
END DO Ot ! Ot: DO y=1,nimpur
END DO ! DO m=1, namostras
! PRINT *, "impureza.f90: Impurities on clusters mode on."
! PRINT *, "Concentration= ", REAL(counter)/REAL(num_hex)
END IF
impureza(:,1,1,:)=0
RETURN
END SUBROUTINE sortimpureza
!========================================================================
SUBROUTINE inicializa_semente()
IMPLICIT NONE
INTEGER :: i, n, relogio
INTEGER, DIMENSION(:), ALLOCATABLE :: semente
CALL RANDOM_SEED(size = n)
ALLOCATE( semente(n) )
!CALL SYSTEM_CLOCK(COUNT=relogio)
!semente = relogio+37*(/ (i-1, i = 1, n) /)
semente = (/ (i-1, i = 1, n) /)
CALL RANDOM_SEED(PUT = semente)
DEALLOCATE(semente)
END SUBROUTINE inicializa_semente