endif
write (2,*) "Start reading THETA_PDB"
do i=1,ntyp
- read (ithep_pdb,*,err=111,end=111) a0thet(i),(athet(j,i),j=1,2),
- & (bthet(j,i),j=1,2)
+ read (ithep_pdb,*,err=111,end=111) a0thet(i),
+ & (athet(j,i,1,1),j=1,2),
+ & (bthet(j,i,1,1),j=1,2)
read (ithep_pdb,*,err=111,end=111) (polthet(j,i),j=0,3)
read (ithep_pdb,*,err=111,end=111) (gthet(j,i),j=1,3)
read (ithep_pdb,*,err=111,end=111) theta0(i),sig0(i),sigc0(i)
enddo
c write (iout,*) 'ntortyp',ntortyp
do i=0,ntortyp-1
- do j=-ntortyp,ntortyp
+ do j=-ntortyp+1,ntortyp-1
read (itorp,*,end=113,err=113) nterm(i,j,iblock),
- nlor(i,j,iblock)
+ & nlor(i,j,iblock)
nterm(-i,-j,iblock)=nterm(i,j,iblock)
- & nlor(i,j,iblock)
+ nlor(-i,-j,iblock)=nlor(i,j,iblock)
v0ij=0.0d0
si=-1.0d0
do k=1,nterm(i,j,iblock)
do j=-ntortyp+1,ntortyp-1
do k=-ntortyp+1,ntortyp-1
read (itordp,'(3a1)',end=114,err=114) t1,t2,t3
- write (iout,*) "OK onelett",
- & i,j,k,t1,t2,t3
+c write (iout,*) "OK onelett",
+c & i,j,k,t1,t2,t3
if (t1.ne.toronelet(i) .or. t2.ne.toronelet(j)
& .or. t3.ne.toronelet(k)) then
write (iout,'(3x,20i10)') (l,l=1,ntermd_2(i,j,k,iblock))
do l=1,ntermd_2(i,j,k,iblock)
write (iout,'(i5,20f10.5)')
- & l,(v2s(l,m,i,j,k,iblock),m=1,ntermd_2(i,j,k,iblock))
+ & l,(v2s(l,m,i,j,k,iblock),m=1,ntermd_2(i,j,k,iblock)),
& (v2s(l,m,-i,-j,-k,iblock),m=1,ntermd_2(i,j,k,iblock))
enddo
write (iout,*)
write (iout,*) "Coefficients of the cumulants"
endif
read (ifourier,*) nloctyp
- do i=1,nloctyp
do i=0,nloctyp-1
read (ifourier,*,end=115,err=115)
read (ifourier,*,end=115,err=115) (b(ii),ii=1,13)