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Introduction to UNRES_MD_DFA (prepaired required fiels)
[unres.git]
/
source
/
unres
/
src_CSA
/
minimize_p.F
diff --git
a/source/unres/src_CSA/minimize_p.F
b/source/unres/src_CSA/minimize_p.F
index
5252faa
..
876db34
100644
(file)
--- 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
* 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
* 1 means to print out result
- iv(22)=1
+ iv(22)=print_min_res
* 1 means to print out summary stats
* 1 means to print out summary stats
- iv(23)=1
+ iv(23)=print_min_stat
* 1 means to print initial x and d
* 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
* 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
* 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
* 1 means to print out result
- iv(22)=1
+ iv(22)=print_min_res
* 1 means to print out summary stats
* 1 means to print out summary stats
- iv(23)=1
+ iv(23)=print_min_stat
* 1 means to print initial x and d
* 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
* min val for v(radfac) default is 0.1
v(24)=0.1D0
* max val for v(radfac) default is 4.0