Diff of /trunk/src/kmc.f90

Parent Directory | Revision Log | Patch

	revision 285, Wed Jun 27 20:33:44 2018 UTC	revision 286, Wed Nov 28 20:44:06 2018 UTC
#	Line 8	Line 8
8	! ndd species that dissapear	! ndd species that dissapear
9	character*80 :: title	character*80 :: title
10	integer, parameter :: dp = selected_real_kind(15,307)	integer, parameter :: dp = selected_real_kind(15,307)
11	integer :: m,nran,nr,nesp,inran,i,j,k,l,mu,ndisp,pd,kk,ijk,tcont,tint	integer :: m,nran,nr,nesp,inran,i,j,k,l,mu,ndisp,pd,kk,ijk,tcont,tint,rep
12	real(dp) :: t,a0,r2a0,suma,ptot	real(dp) :: t,a0,r2a0,suma,ptot
13	real(dp) :: rnd(2)	real(dp) :: rnd(2)
14	integer,dimension(:),allocatable :: p,p0,re,pr,n,ndd,cont	integer,dimension(:),allocatable :: p,p0,re,pr,n,ndd,cont,pp,ppold
15	real (dp) ,dimension(:),allocatable :: a,rate	real (dp) ,dimension(:),allocatable :: a,rate
16	read(*,"(a80)") title	read(*,"(a80)") title
17	print "(t3,a80)",title	print "(t3,a80)",title
18	read(*,*) m,nesp,nran	read(*,*) m,nesp,nran
19	allocate(re(m),pr(m),a(m),rate(m),p0(nesp),p(nesp),n(nesp),cont(m))	allocate(re(m),pr(m),a(m),rate(m),p0(nesp),p(nesp),n(nesp),cont(m),pp(nesp),ppold(nesp))
20	n=(/ (l,l=1,nesp) /)	n=(/ (l,l=1,nesp) /)
21	do i=1,m	do i=1,m
22	read(*,*) rate(I),re(i),pr(i)	read(*,*) rate(I),re(i),pr(i)
#	Line 43	Line 43
43	big: do inran=1,nran	big: do inran=1,nran
44	print "(/,t3,a,i4,/,t3,a,9999(i7))","Calculation number",inran,"Time(ps)",n	print "(/,t3,a,i4,/,t3,a,9999(i7))","Calculation number",inran,"Time(ps)",n
45	p=p0	p=p0
46		pp=p0
47	t=0.d0	t=0.d0
48	tcont=0	tcont=0
49		rep=0
50	print "(e10.4,9999(i7))",t,p	print "(e10.4,9999(i7))",t,p
51	do j=1,m	do j=1,m
52	a(j)=rate(j)*p(re(j))	a(j)=rate(j)*p(re(j))
#	Line 67	Line 69
69	a(j)=rate(j)*p(re(j))	a(j)=rate(j)*p(re(j))
70	enddo	enddo
71	a0=sum(a)	a0=sum(a)
72	if(mod(tcont,tint)==0.or.a0==0) print "(e10.4,9999(i7))",t,p	if(mod(tcont,tint)==0.or.a0==0) then
73		print "(e10.4,9999(i7))",t,p
74		ppold=pp
75		pp=p
76		do j=1,m
77		if(pp(j)==ppold(j).and.ppold(j)>0) then
78		rep=rep+1
79		endif
80		enddo
81		if(rep==1000) exit
82		endif
83	enddo	enddo
84	enddo big	enddo big
85	print*,"Population of every species"	print*,"Population of every species"

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