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introduction of shielding to cluster DEBUG mode
[unres.git]
/
source
/
unres
/
src_MD-M
/
energy_p_new_barrier.F
diff --git
a/source/unres/src_MD-M/energy_p_new_barrier.F
b/source/unres/src_MD-M/energy_p_new_barrier.F
index
64288d6
..
3ad8f52
100644
(file)
--- a/
source/unres/src_MD-M/energy_p_new_barrier.F
+++ b/
source/unres/src_MD-M/energy_p_new_barrier.F
@@
-3661,6
+3661,7
@@
C 13-go grudnia roku pamietnego...
double precision unmat(3,3) /1.0d0,0.0d0,0.0d0,
& 0.0d0,1.0d0,0.0d0,
& 0.0d0,0.0d0,1.0d0/
double precision unmat(3,3) /1.0d0,0.0d0,0.0d0,
& 0.0d0,1.0d0,0.0d0,
& 0.0d0,0.0d0,1.0d0/
+ integer xshift,yshift,zshift
c time00=MPI_Wtime()
cd write (iout,*) "eelecij",i,j
c ind=ind+1
c time00=MPI_Wtime()
cd write (iout,*) "eelecij",i,j
c ind=ind+1