X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_CSA_DiL%2Fenergy_p_new_barrier.F;h=44de1a82e9b983bb393d0f95d836576c689d94e6;hb=afa89b4df99ce72dda37b1a4d2fa26e5997ede83;hp=b4e0b64a8f1d655ee62c356254c3cc7fb5cc7dd3;hpb=ad14a2a75bd411d2ba28e29b8b84c4ad4656aa40;p=unres.git diff --git a/source/unres/src_CSA_DiL/energy_p_new_barrier.F b/source/unres/src_CSA_DiL/energy_p_new_barrier.F index b4e0b64..44de1a8 100644 --- a/source/unres/src_CSA_DiL/energy_p_new_barrier.F +++ b/source/unres/src_CSA_DiL/energy_p_new_barrier.F @@ -4485,9 +4485,6 @@ c write (*,'(a,i2)') 'EBEND ICG=',icg do i=ithet_start,ithet_end C Zero the energy function and its derivative at 0 or pi. call splinthet(theta(i),0.5d0*delta,ss,ssd) -<<<<<<< HEAD - it=iabs(itype(i-1)) -======= it=itype(i-1) ichir1=isign(1,itype(i-2)) ichir2=isign(1,itype(i)) @@ -4501,7 +4498,6 @@ C Zero the energy function and its derivative at 0 or pi. ichir21=isign(1,itype(i)) ichir22=isign(1,itype(i)) endif ->>>>>>> bartek2 if (i.gt.3) then #ifdef OSF phii=phi(i) @@ -8170,7 +8166,7 @@ c---------------------------------------------------------------------------- include 'COMMON.GEO' logical swap double precision vv(2),pizda(2,2),auxmat(2,2),auxvec(2), - & auxvec1(2),auxvec2(1),auxmat1(2,2) + & auxvec1(2),auxvec2(2),auxmat1(2,2) logical lprn common /kutas/ lprn CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC