From: Dawid Jagiela Date: Wed, 24 Jun 2015 09:59:40 +0000 (+0200) Subject: removed uninitialized ghalf from equation X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=0c20bbe29a64f1da8b164d0a4949820511522a2a removed uninitialized ghalf from equation --- diff --git a/source/unres/src_MD-M/energy_p_new_barrier.F b/source/unres/src_MD-M/energy_p_new_barrier.F index b88ee57..700fb07 100644 --- a/source/unres/src_MD-M/energy_p_new_barrier.F +++ b/source/unres/src_MD-M/energy_p_new_barrier.F @@ -7774,9 +7774,9 @@ cd ghalf=0.0d0 cold ghalf=0.5d0*eel5*eij*gacont_hbr(ll,kk,k) cgrad ghalf=0.5d0*ggg2(ll) cd ghalf=0.0d0 - gradcorr5(ll,k)=gradcorr5(ll,k)+ghalf+ekont*derx(ll,2,2) + gradcorr5(ll,k)=gradcorr5(ll,k)+ekont*derx(ll,2,2) gradcorr5(ll,k+1)=gradcorr5(ll,k+1)+ekont*derx(ll,3,2) - gradcorr5(ll,l)=gradcorr5(ll,l)+ghalf+ekont*derx(ll,4,2) + gradcorr5(ll,l)=gradcorr5(ll,l)+ekont*derx(ll,4,2) gradcorr5(ll,l1)=gradcorr5(ll,l1)+ekont*derx(ll,5,2) gradcorr5_long(ll,l)=gradcorr5_long(ll,l)+gradcorr5kl gradcorr5_long(ll,k)=gradcorr5_long(ll,k)-gradcorr5kl