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ctest - more checkgrad tests added
[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
72190e8
..
2fa0ec8
100644
(file)
--- a/
source/unres/src_MIN/minimize_p.F
+++ b/
source/unres/src_MIN/minimize_p.F
@@
-89,8
+89,8
@@
cd print *,'Calling SUMSL'
etot=v(10)
iretcode=iv(1)
cd print *,'Exit SUMSL; return code:',iretcode,' energy:',etot
etot=v(10)
iretcode=iv(1)
cd print *,'Exit SUMSL; return code:',iretcode,' energy:',etot
- write (iout,'(/a,i4,a,f15.5/)') 'SUMSL return code:',iv(1),
- & " energy",etot
+cd write (iout,'(/a,i4,a,f15.5/)') 'SUMSL return code:',iv(1),
+cd & " energy",etot
call var_to_geom(nvar,x)
c call chainbuild
c call etotal(energia(0))
call var_to_geom(nvar,x)
c call chainbuild
c call etotal(energia(0))