do 10 it=1,1
if ((it.eq.10).or.(it.eq.ntyp1)) goto 10
open (20,file=restyp(it,1)//'_distr.sdc',status='unknown')
- call gen_side(it,90.0D0 * deg2rad,al,om,fail)
+ call gen_side(it,90.0D0 * deg2rad,al,om,fail,1)
close (20)
goto 10
open (20,file=restyp(it,1)//'_distr1.sdc',status='unknown')
enddo
enddo
do isample=1,MaxSample
- call gen_side(it,90.0D0 * deg2rad,al,om,fail)
+ call gen_side(it,90.0D0 * deg2rad,al,om,fail,1)
indal=rad2deg*al/2
indom=(rad2deg*om+180.0D0)/5
prob(indom,indal)=prob(indom,indal)+delt
it1=iabs(itype(2,1))
phi(4)=gen_phi(4,iabs(itype(2,1)),iabs(itype(3,1)))
! write(iout,*)'phi(4)=',rad2deg*phi(4)
- if (nstart.lt.3) theta(3)=gen_theta(iabs(itype(2,1)),pi,phi(4))
+ if (nstart.lt.3) theta(3)=gen_theta(iabs(itype(2,1)),pi,phi(4),molnum(2))
! write(iout,*)'theta(3)=',rad2deg*theta(3)
if ((it1.ne.10).and.(it1.ne.ntyp1)) then
nsi=0
fail=.true.
do while (fail.and.nsi.le.maxsi)
- call gen_side(it1,theta(3),alph(2),omeg(2),fail)
+ call gen_side(it1,theta(3),alph(2),omeg(2),fail,molnum(2))
nsi=nsi+1
enddo
if (nsi.gt.maxsi) return 1
if (back) then
phi(i)=gen_phi(i+1,it2,it1)
! print *,'phi(',i,')=',phi(i)
- theta(i-1)=gen_theta(it2,phi(i-1),phi(i))
+ theta(i-1)=gen_theta(it2,phi(i-1),phi(i),molnum(i))
! print *,"theta",theta(i-1),phi(i)
if ((it2.ne.10).and.(it2.ne.ntyp1)) then
nsi=0
fail=.true.
do while (fail.and.nsi.le.maxsi)
- call gen_side(it2,theta(i-1),alph(i-2),omeg(i-2),fail)
+ call gen_side(it2,theta(i-1),alph(i-2),omeg(i-2),fail,molnum(i-2))
nsi=nsi+1
enddo
if (nsi.gt.maxsi) return 1
endif
call locate_next_res(i-1)
endif
- theta(i)=gen_theta(it1,phi(i),phi(i+1))
+ theta(i)=gen_theta(it1,phi(i),phi(i+1),molnum(i))
! write(iout,*) "theta(i),",theta(i)
if ((it1.ne.10).and.(it1.ne.ntyp1)) then
nsi=0
fail=.true.
do while (fail.and.nsi.le.maxsi)
- call gen_side(it1,theta(i),alph(i-1),omeg(i-1),fail)
+ call gen_side(it1,theta(i),alph(i-1),omeg(i-1),fail,molnum(i))
! write(iout,*)"alpha,omeg(i-1)",alph(i-1),omeg(i-1),i,nsi,maxsi
nsi=nsi+1
enddo
return
end function gen_phi
!-----------------------------------------------------------------------------
- real(kind=8) function gen_theta(it,gama,gama1)
+ real(kind=8) function gen_theta(it,gama,gama1,mnum)
use random,only:binorm,ran_number
! implicit real*8 (a-h,o-z)
! include 'DIMENSIONS'
real(kind=8),dimension(2) :: y,z
real(kind=8) :: theta_max,theta_min,sig,ak
!el local variables
- integer :: j,it,k
+ integer :: j,it,k,mnum
real(kind=8) :: gama,gama1,thet_pred_mean,theta_temp
! print *,'gen_theta: it=',it
theta_min=0.05D0*pi
endif
if (it.eq.ntyp1) then
gen_theta=ran_number(theta_max/2.0,theta_max)
- else
+ else if (mnum.eq.1) then
+
thet_pred_mean=a0thet(it)
! write(iout,*),it,thet_pred_mean,"gen_thet"
do k=1,2
if (theta_temp.gt.theta_max) theta_temp=theta_max
gen_theta=theta_temp
! print '(a)','Exiting GENTHETA.'
- endif
+ else if (mnum.eq.2) then
+ gen_theta=aa0thet_nucl(1,it,1) -0.17 + ran_number(0.0d0,0.34d0)
+ else
+ gen_theta=ran_number(theta_max/2.0,theta_max)
+ endif
return
end function gen_theta
!-----------------------------------------------------------------------------
- subroutine gen_side(it,the,al,om,fail)
+ subroutine gen_side(it,the,al,om,fail,mnum)
use random, only:ran_number,mult_norm1
! implicit real*8 (a-h,o-z)
! include 'DIMENSIONS'
real(kind=8) :: Big=10.0D0
logical :: lprint,fail,lcheck
!el local variables
- integer :: it,i,j,k,l,nlobit,ial,iom,iii,ilob
+ integer :: it,i,j,k,l,nlobit,ial,iom,iii,ilob,mnum
real(kind=8) :: the,al,om,detApi,wart,y2,wykl,radmax
real(kind=8) :: tant,zz1,W1i,radius,zk,fac,dV,sum,sum1
real(kind=8) :: which_lobe
lcheck=.false.
lprint=.false.
fail=.false.
+ if (mnum.eq.1) then
if (the.eq.0.0D0 .or. the.eq.pi) then
#ifdef MPI
write (*,'(a,i4,a,i3,a,1pe14.5)') &
if (fail) return
al=y(1)
om=pinorm(y(2))
+ else if (mnum.eq.2) then
+ al=0.7+ran_number(0.0d0,0.2d0)
+ om=ran_number(0.0d0,3.14d0)
+ endif
+
!d print *,'al=',al,' om=',om
!d stop
return
nsi=0
fail=.true.
do while (fail.and.nsi.le.maxsi)
- call gen_side(iti,theta(i+1),alph(i),omeg(i),fail)
+ call gen_side(iti,theta(i+1),alph(i),omeg(i),fail,molnum(i))
nsi=nsi+1
enddo
if(fail) goto 999