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ss_dyn compiles with make and with cmake
[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
external func,gradient,fdum
external func_restr,grad_restr
logical not_done,change,reduce
- common /przechowalnia/ v
+c common /przechowalnia/ v
icall = 1
icall = 1
@@
-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)=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)=0
+ iv(22)=print_min_res
* 1 means to print out summary stats
* 1 means to print out summary stats
- iv(23)=0
+ iv(23)=print_min_stat
* 1 means to print initial x and d
* 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
* 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)
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
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
* 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
* 1 means to print out result
- iv(22)=0
+ iv(22)=print_min_res
* 1 means to print out summary stats
* 1 means to print out summary stats
- iv(23)=0
+ iv(23)=print_min_stat
* 1 means to print initial x and d
* 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
* min val for v(radfac) default is 0.1
v(24)=0.1D0
* max val for v(radfac) default is 4.0