include 'COMMON.MINIM'
include 'COMMON.DERIV'
include 'COMMON.SPLITELE'
+ include 'COMMON.MD'
c Common blocks from the diagonalization routines
- COMMON /IOFILE/ IR,IW,IP,IJK,IPK,IDAF,NAV,IODA(400)
+ COMMON /IOFILE/ IR,IW,IPP,IJK,IPK,IDAF,NAV,IODA(400)
COMMON /MACHSW/ KDIAG,ICORFL,IXDR
logical mask_r
c real*8 text1 /'initial_i'/
#ifndef SPLITELE
nprint_ene=nprint_ene-1
#endif
+ usampl=.true.
return
end
c-------------------------------------------------------------------------
include 'COMMON.CONTROL'
include 'COMMON.MD'
include 'COMMON.INTERACT'
- write(iout,*)"homology_partition: lim_odl=",lim_odl,
- & " lim_dih",lim_dih
+cd write(iout,*)"homology_partition: lim_odl=",lim_odl,
+cd & " lim_dih",lim_dih
#ifdef MPI
- write (iout,*) "MPI"
+ if (me.eq.king .or. .not. out1file) write (iout,*) "MPI"
call int_bounds(lim_odl,link_start_homo,link_end_homo)
call int_bounds(lim_dih-nnt+1,idihconstr_start_homo,
& idihconstr_end_homo)