X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_CSA_DiL%2Finitialize_p.F;h=015faac4fffd726c6b2bd6be8bb51ab6a22617fa;hb=bad9a29f3d173d1136fe6a2333446ab479351053;hp=4c2381569a418b92feb2f9009be1067089eddf63;hpb=81513f4efcd95dcfc5d3ec05ce6396a392d8ac24;p=unres.git diff --git a/source/unres/src_CSA_DiL/initialize_p.F b/source/unres/src_CSA_DiL/initialize_p.F index 4c23815..015faac 100644 --- a/source/unres/src_CSA_DiL/initialize_p.F +++ b/source/unres/src_CSA_DiL/initialize_p.F @@ -135,35 +135,35 @@ C print '(a,$)','Inside initialize' c call memmon_print_usage() do i=1,maxres2 - do j=1,3 - c(j,i)=0.0D0 - dc(j,i)=0.0D0 + do j=1,3 + c(j,i)=0.0D0 + dc(j,i)=0.0D0 enddo enddo do i=1,maxres - do j=1,3 - xloc(j,i)=0.0D0 + do j=1,3 + xloc(j,i)=0.0D0 enddo enddo do i=1,ntyp - do j=1,ntyp - aa(i,j)=0.0D0 - bb(i,j)=0.0D0 - augm(i,j)=0.0D0 - sigma(i,j)=0.0D0 - r0(i,j)=0.0D0 - chi(i,j)=0.0D0 + do j=1,ntyp + aa(i,j)=0.0D0 + bb(i,j)=0.0D0 + augm(i,j)=0.0D0 + sigma(i,j)=0.0D0 + r0(i,j)=0.0D0 + chi(i,j)=0.0D0 enddo - do j=1,2 - bad(i,j)=0.0D0 + do j=1,2 + bad(i,j)=0.0D0 enddo - chip(i)=0.0D0 - alp(i)=0.0D0 - sigma0(i)=0.0D0 - sigii(i)=0.0D0 - rr0(i)=0.0D0 - a0thet(i)=0.0D0 - do j=1,2 + chip(i)=0.0D0 + alp(i)=0.0D0 + sigma0(i)=0.0D0 + sigii(i)=0.0D0 + rr0(i)=0.0D0 + a0thet(i)=0.0D0 + do j=1,2 do ichir1=-1,1 do ichir2=-1,1 athet(j,i,ichir1,ichir2)=0.0D0 @@ -171,40 +171,41 @@ c call memmon_print_usage() enddo enddo enddo - do j=0,3 - polthet(j,i)=0.0D0 + do j=0,3 + polthet(j,i)=0.0D0 enddo - do j=1,3 - gthet(j,i)=0.0D0 + do j=1,3 + gthet(j,i)=0.0D0 enddo - theta0(i)=0.0D0 - sig0(i)=0.0D0 - sigc0(i)=0.0D0 - do j=1,maxlob - bsc(j,i)=0.0D0 - do k=1,3 - censc(k,j,i)=0.0D0 + theta0(i)=0.0D0 + sig0(i)=0.0D0 + sigc0(i)=0.0D0 + do j=1,maxlob + bsc(j,i)=0.0D0 + do k=1,3 + censc(k,j,i)=0.0D0 enddo do k=1,3 - do l=1,3 - gaussc(l,k,j,i)=0.0D0 + do l=1,3 + gaussc(l,k,j,i)=0.0D0 enddo enddo - nlob(i)=0 + nlob(i)=0 enddo enddo nlob(ntyp1)=0 dsc(ntyp1)=0.0D0 do i=-maxtor,maxtor - itortyp(i)=0 - do iblock=1,2 - do j=-maxtor,maxtor - do k=1,maxterm - v1(k,j,i,iblock)=0.0D0 - v2(k,j,i,iblock)=0.0D0 + itortyp(i)=0 + do iblock=1,2 + do j=-maxtor,maxtor + do k=1,maxterm + v1(k,j,i,iblock)=0.0D0 + v2(k,j,i,iblock)=0.0D0 enddo enddo enddo + enddo do iblock=1,2 do i=-maxtor,maxtor do j=-maxtor,maxtor @@ -226,22 +227,22 @@ c call memmon_print_usage() enddo !i enddo !i do i=1,maxres - itype(i)=0 - itel(i)=0 + itype(i)=0 + itel(i)=0 enddo C Initialize the bridge arrays ns=0 nss=0 nhpb=0 do i=1,maxss - iss(i)=0 + iss(i)=0 enddo do i=1,maxdim - dhpb(i)=0.0D0 + dhpb(i)=0.0D0 enddo do i=1,maxres - ihpb(i)=0 - jhpb(i)=0 + ihpb(i)=0 + jhpb(i)=0 enddo C C Initialize timing.