X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Fminimize_p.F;h=c7922c70eaf31b34433407b39968af66c272e4ac;hb=e123f68beb7954771018d0311468c68250b5f2d1;hp=1de382480cb8b0270397f92d73de2114b9eafb5a;hpb=a3ef63eda7d771657cc2df1d275e0a03a5cc1966;p=unres.git diff --git a/source/unres/src_MD/minimize_p.F b/source/unres/src_MD/minimize_p.F index 1de3824..c7922c7 100644 --- a/source/unres/src_MD/minimize_p.F +++ b/source/unres/src_MD/minimize_p.F @@ -44,14 +44,14 @@ c DO WHILE (NOT_DONE) * controls output iv(19)=2 * selects output unit -c iv(21)=iout iv(21)=0 + if (print_min_ini+print_min_stat+print_min_res.gt.0) iv(21)=iout * 1 means to print out result - iv(22)=0 + iv(22)=print_min_res * 1 means to print out summary stats - iv(23)=0 + iv(23)=print_min_stat * 1 means to print initial x and d - iv(24)=0 + iv(24)=print_min_ini * min val for v(radfac) default is 0.1 v(24)=0.1D0 * max val for v(radfac) default is 4.0 @@ -435,14 +435,14 @@ c common /przechowalnia/ v * controls output iv(19)=2 * selects output unit -c iv(21)=iout - iv(21)=0 + iv(21)=0 + if (print_min_ini+print_min_stat+print_min_res.gt.0) iv(21)=iout * 1 means to print out result - iv(22)=0 + iv(22)=print_min_res * 1 means to print out summary stats - iv(23)=0 + iv(23)=print_min_stat * 1 means to print initial x and d - iv(24)=0 + iv(24)=print_min_ini * min val for v(radfac) default is 0.1 v(24)=0.1D0 * max val for v(radfac) default is 4.0