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pulled readrtns
[unres.git]
/
source
/
cluster
/
wham
/
src
/
main_clust.F
diff --git
a/source/cluster/wham/src/main_clust.F
b/source/cluster/wham/src/main_clust.F
index
4b6478a
..
b5124ac
100644
(file)
--- a/
source/cluster/wham/src/main_clust.F
+++ b/
source/cluster/wham/src/main_clust.F
@@
-59,9
+59,9
@@
C
stop
endif
#endif
stop
endif
#endif
-
call initialize
call openunits
call initialize
call openunits
+ call cinfo
call parmread
call read_control
call molread
call parmread
call read_control
call molread
@@
-227,7
+227,11
@@
C
write (iout,'(2i5,f10.5)') i,list_conf(i),totfree(i)
enddo
#endif
write (iout,'(2i5,f10.5)') i,list_conf(i),totfree(i)
enddo
#endif
+#ifdef AIX
+ call flush_(iout)
+#else
call flush(iout)
call flush(iout)
+#endif
CALL HC(N,M,LEN,IOPT,IA,IB,CRIT,MEMBR,NN,DISNN,FLAG,DISS)
LEV = N-1
write (iout,*) "n",n," ncon_work",ncon_work," lev",lev
CALL HC(N,M,LEN,IOPT,IA,IB,CRIT,MEMBR,NN,DISNN,FLAG,DISS)
LEV = N-1
write (iout,*) "n",n," ncon_work",ncon_work," lev",lev