X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2Fsrc_MD-M%2Fminimize_p.F;fp=source%2Funres%2Fsrc_MD-M%2Fminimize_p.F;h=06799095a78bbc23dc2fd00d3bd3f2725cd8f08c;hb=9453fc761eb545fcb727824c94d012dbf3931951;hp=06c7a7366ff90350b84f3948668b036b094ff1d7;hpb=6f521277aa2a382d409f5189957283b0998b0d07;p=unres.git diff --git a/source/unres/src_MD-M/minimize_p.F b/source/unres/src_MD-M/minimize_p.F index 06c7a73..0679909 100644 --- a/source/unres/src_MD-M/minimize_p.F +++ b/source/unres/src_MD-M/minimize_p.F @@ -17,6 +17,7 @@ include 'COMMON.VAR' include 'COMMON.GEO' include 'COMMON.MINIM' + include 'COMMON.CONTROL' common /srutu/ icall dimension iv(liv) double precision minval,x(maxvar),d(maxvar),v(1:lv),xx(maxvar) @@ -24,7 +25,7 @@ external func,gradient,fdum external func_restr,grad_restr logical not_done,change,reduce - common /przechowalnia/ v +c common /przechowalnia/ v icall = 1 @@ -416,7 +417,7 @@ c---------------------------------------------------------- include 'COMMON.CHAIN' dimension iv(liv) double precision minval,x(maxvar),d(maxvar),v(1:lv),xx(maxvar) - common /przechowalnia/ v +c common /przechowalnia/ v double precision energia(0:n_ene) external func_dc,grad_dc,fdum @@ -436,7 +437,7 @@ c---------------------------------------------------------- iv(19)=2 * selects output unit iv(21)=0 - if (print_min_ini+print_min_stat+print_min_res.gt.0) iv(21)=iout + if (print_min_ini+print_min_stat+print_min_res.gt.0) iv(21)=iout * 1 means to print out result iv(22)=print_min_res * 1 means to print out summary stats