Merge branch 'devel' into feature-ga

[unres.git] / source / unres / src_MD / minimize_p.F

diff --git a/source/unres/src_MD/minimize_p.F b/source/unres/src_MD/minimize_p.F
index 902dde2..c7922c7 100644 (file)
--- a/source/unres/src_MD/minimize_p.F
+++ b/source/unres/src_MD/minimize_p.F
@@ -24,7 +24,7 @@
       external func,gradient,fdum
       external func_restr,grad_restr
       logical not_done,change,reduce 
-      common /przechowalnia/ v
+c      common /przechowalnia/ v
 
       icall = 1
 
@@ -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                                  
@@ -416,7 +416,7 @@ 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
@@ -435,14 +435,14 @@ c----------------------------------------------------------
 * 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