X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2Fsrc_CSA%2Fminimize_p.F;h=876db346d2d01e470b127d444eb1ad655d378ba2;hb=5e13bfdf2c98103be8166d5d2bbf9269c40e63a4;hp=5252faa98a7ac22a7041a71d8aed32861564dc9a;hpb=f0ab76db798e4461535a3ce519bf1188744a7d9b;p=unres.git diff --git a/source/unres/src_CSA/minimize_p.F b/source/unres/src_CSA/minimize_p.F index 5252faa..876db34 100644 --- a/source/unres/src_CSA/minimize_p.F +++ b/source/unres/src_CSA/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)=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)=1 + iv(22)=print_min_res * 1 means to print out summary stats - iv(23)=1 + iv(23)=print_min_stat * 1 means to print initial x and d - iv(24)=1 + 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 - iv(21)=iout -c 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)=1 + iv(22)=print_min_res * 1 means to print out summary stats - iv(23)=1 + iv(23)=print_min_stat * 1 means to print initial x and d - iv(24)=1 + 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