X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2Fcartder.F;h=36b4e6383e9e70317bd5bafd0220fe553c3387cb;hb=c711143ad3fffb04d27b55aa823f399b8343c4c5;hp=68b51f0b55bc67e20dd230887050b271bb486e6a;hpb=48ae9e01d2dd6571fa2cca6c704dc04f86e5fd7b;p=unres.git diff --git a/source/unres/src-HCD-5D/cartder.F b/source/unres/src-HCD-5D/cartder.F index 68b51f0..36b4e63 100644 --- a/source/unres/src-HCD-5D/cartder.F +++ b/source/unres/src-HCD-5D/cartder.F @@ -353,56 +353,3 @@ cd print *,((temp(l,k),l=1,3),k=1,2) enddo return end -c----------------------------------------------------------------------------- - subroutine build_fromto(i,j,fromto) - implicit none - include 'DIMENSIONS' - include 'COMMON.CHAIN' - include 'COMMON.IOUNITS' - integer i,j,jj,k,l,m - double precision fromto(3,3),temp(3,3),dp(3,3) - double precision dpkl - save temp -* -* generate the matrix products of type r(i)t(i)...r(j)t(j) on the fly -* -c write (iout,*) "temp on entry" -c write (iout,'(3f10.5)') ((temp(k,l),l=1,3),k=1,3) -c do i=2,nres-2 -c ind=indmat(i,i+1) - if (j.eq.i+1) then - do k=1,3 - do l=1,3 - temp(k,l)=rt(k,l,i) - enddo - enddo - do k=1,3 - do l=1,3 - fromto(k,l)=temp(k,l) - enddo - enddo - else -c do j=i+1,nres-2 -c ind=indmat(i,j+1) - do k=1,3 - do l=1,3 - dpkl=0.0d0 - do m=1,3 - dpkl=dpkl+temp(k,m)*rt(m,l,j-1) - enddo - dp(k,l)=dpkl - fromto(k,l)=dpkl - enddo - enddo - do k=1,3 - do l=1,3 - temp(k,l)=dp(k,l) - enddo - enddo - endif -c write (iout,*) "temp upon exit" -c write (iout,'(3f10.5)') ((temp(k,l),l=1,3),k=1,3) -c enddo -c enddo - return - end