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Fixes to compile WHAM and CLUSTER on AIX (nostromo.icm.edu.pl)
[unres.git]
/
source
/
unres
/
src_MIN
/
minimize_p.F
diff --git
a/source/unres/src_MIN/minimize_p.F
b/source/unres/src_MIN/minimize_p.F
index
1721510
..
72190e8
100644
(file)
--- a/
source/unres/src_MIN/minimize_p.F
+++ b/
source/unres/src_MIN/minimize_p.F
@@
-27,7
+27,10
@@
c common /przechowalnia/ v
icall = 1
c common /przechowalnia/ v
icall = 1
-c print *,"liv",liv," lv",lv
+C Following 3 line for diagnostics; comment out if not needed
+ write(iout,*) "Enter MINIMIZE liv",liv," lv",lv
+ write (iout,*) "Coordinates before minimization"
+ call intout
call deflt(2,iv,liv,lv,v)
* 12 means fresh start, dont call deflt
iv(1)=12
call deflt(2,iv,liv,lv,v)
* 12 means fresh start, dont call deflt
iv(1)=12