X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_CSA_DiL%2Finitialize_p.F;h=71cb31dd0adc57b10c845d0e1100a7be217fac69;hb=4bb1695f773cf0dc74a816d3361c416bdd783f09;hp=19cf3d6eb8a028c5bbd58b25215aa53eb3436056;hpb=8055c4bbbbc16fd9499bf70d85f9a94697170300;p=unres.git diff --git a/source/unres/src_CSA_DiL/initialize_p.F b/source/unres/src_CSA_DiL/initialize_p.F index 19cf3d6..71cb31d 100644 --- a/source/unres/src_CSA_DiL/initialize_p.F +++ b/source/unres/src_CSA_DiL/initialize_p.F @@ -191,15 +191,36 @@ c call memmon_print_usage() enddo nlob(ntyp1)=0 dsc(ntyp1)=0.0D0 - do i=1,maxtor + do i=-maxtor,maxtor itortyp(i)=0 - do j=1,maxtor + do iblock=1,2 + do j=-maxtor,maxtor do k=1,maxterm v1(k,j,i)=0.0D0 v2(k,j,i)=0.0D0 enddo enddo enddo + do iblock=1,2 + do i=-maxtor,maxtor + do j=-maxtor,maxtor + do k=-maxtor,maxtor + do l=1,maxtermd_1 + v1c(1,l,i,j,k,iblock)=0.0D0 + v1s(1,l,i,j,k,iblock)=0.0D0 + v1c(2,l,i,j,k,iblock)=0.0D0 + v1s(2,l,i,j,k,iblock)=0.0D0 + enddo !l + do l=1,maxtermd_2 + do m=1,maxtermd_2 + v2c(m,l,i,j,k,iblock)=0.0D0 + v2s(m,l,i,j,k,iblock)=0.0D0 + enddo !m + enddo !l + enddo !k + enddo !j + enddo !i + enddo !i do i=1,maxres itype(i)=0 itel(i)=0