forked from lijiext/lammps
393 lines
13 KiB
Fortran
393 lines
13 KiB
Fortran
**********************************************************************
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* *
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* REAXFF Reactive force field program *
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* *
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* Developed and written by Adri van Duin, duin@wag.caltech.edu *
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* *
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* Copyright (c) 2001-2010 California Institute of Technology *
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* *
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* This is an open-source program. Feel free to modify its *
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* contents. Please keep me informed of any useful modification *
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* or addition that you made. Please do not distribute this *
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* program to others; if people are interested in obtaining *
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* a copy of this program let them contact me first. *
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* *
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**********************************************************************
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**********************************************************************
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subroutine getswb(swb_tmp)
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**********************************************************************
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#include "cbka.blk"
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#include "cbkff.blk"
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real*8 swb_tmp
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**********************************************************************
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* *
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* Report the value of swb *
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* *
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**********************************************************************
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swb_tmp = swb
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return
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end
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**********************************************************************
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subroutine getswa(swa_tmp)
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**********************************************************************
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#include "cbka.blk"
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#include "cbkff.blk"
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real*8 swa_tmp
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**********************************************************************
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* *
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* Report the value of swa *
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* *
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**********************************************************************
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swa_tmp = swa
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return
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end
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**********************************************************************
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subroutine getvrange(vrange_tmp)
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**********************************************************************
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#include "cbka.blk"
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#include "control.blk"
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real*8 vrange_tmp
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**********************************************************************
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* *
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* Report the value of vrange *
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* *
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**********************************************************************
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vrange_tmp = vrange
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return
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end
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**********************************************************************
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subroutine getnvlist(nvlist_tmp)
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**********************************************************************
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#include "cbka.blk"
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integer nvlist_tmp
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**********************************************************************
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* *
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* Report the value of nvlist *
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* *
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**********************************************************************
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nvlist_tmp = nvlist
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return
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end
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**********************************************************************
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subroutine getvlbora(vlbora_tmp)
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#include "cbka.blk"
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#include "control.blk"
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real*8 vlbora_tmp
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**********************************************************************
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* *
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* Report the value of vlbora *
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* *
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**********************************************************************
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vlbora_tmp = vlbora
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return
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end
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**********************************************************************
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subroutine getnval(nval_tmp)
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**********************************************************************
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#include "cbka.blk"
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#include "cbkvalence.blk"
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integer nval_tmp
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**********************************************************************
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* *
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* Report the value of nval *
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* *
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**********************************************************************
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nval_tmp = nval
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return
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end
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**********************************************************************
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subroutine getntor(ntor_tmp)
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**********************************************************************
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#include "cbka.blk"
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#include "cbktorsion.blk"
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integer ntor_tmp
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**********************************************************************
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* *
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* Report the value of ntor *
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* *
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**********************************************************************
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ntor_tmp = ntor
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return
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end
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**********************************************************************
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subroutine getnhb(nhb_tmp)
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#include "cbka.blk"
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#include "cbksrthb.blk"
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integer nhb_tmp
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**********************************************************************
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* *
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* Report the value of nhb *
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* *
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**********************************************************************
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nhb_tmp = nhb
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return
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end
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**********************************************************************
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subroutine getnbonall(nbonall_tmp)
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**********************************************************************
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#include "cbka.blk"
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#include "cbksrtbon1.blk"
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integer nbonall_tmp
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**********************************************************************
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* *
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* Report the value of nbonall *
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* *
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**********************************************************************
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nbonall_tmp = nbonall
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return
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end
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**********************************************************************
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subroutine getnneighmax(nneighmax_tmp)
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#include "cbka.blk"
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integer nneighmax_tmp
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**********************************************************************
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* *
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* Report the value of nneighmax *
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* *
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**********************************************************************
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nneighmax_tmp = nneighmax
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return
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end
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**********************************************************************
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subroutine getnat(nat_tmp)
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#include "cbka.blk"
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integer nat_tmp
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**********************************************************************
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* *
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* Report the value of nat *
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* *
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**********************************************************************
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nat_tmp = nat
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return
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end
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**********************************************************************
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subroutine getnattot(nattot_tmp)
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#include "cbka.blk"
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integer nattot_tmp
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**********************************************************************
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* *
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* Report the value of nattot *
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* *
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**********************************************************************
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nattot_tmp = nattot
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return
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end
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**********************************************************************
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subroutine getnsort(nsort_tmp)
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#include "cbka.blk"
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integer nsort_tmp
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**********************************************************************
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* *
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* Report the value of nsort *
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* *
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**********************************************************************
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nsort_tmp = nsort
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return
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end
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**********************************************************************
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subroutine getmbond(mbond_tmp)
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#include "cbka.blk"
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integer mbond_tmp
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**********************************************************************
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* *
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* Report the value of mbond *
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* *
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**********************************************************************
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mbond_tmp = mbond
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return
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end
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**********************************************************************
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subroutine getnso(nso_tmp)
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#include "cbka.blk"
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#include "cbkff.blk"
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integer nso_tmp
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**********************************************************************
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* *
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* Report the value of nso *
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* *
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**********************************************************************
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nso_tmp = nso
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return
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end
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**********************************************************************
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subroutine setngeofor(ngeofor_tmp)
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#include "cbka.blk"
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#include "control.blk"
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integer ngeofor_tmp
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**********************************************************************
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* *
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* Set value of ngeofor
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* *
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**********************************************************************
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ngeofor = ngeofor_tmp
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return
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end
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**********************************************************************
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subroutine getnsbmax(nsbmax_tmp)
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**********************************************************************
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#include "cbka.blk"
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#include "cbksrtbon1.blk"
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integer nsbmax_tmp
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**********************************************************************
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* *
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* Report the value of nsbmax *
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* *
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**********************************************************************
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nsbmax_tmp = nsbmax
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return
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end
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**********************************************************************
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subroutine getnsbma2(nsbma2_tmp)
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**********************************************************************
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#include "cbka.blk"
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#include "cbksrtbon1.blk"
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integer nsbma2_tmp
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**********************************************************************
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* *
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* Report the value of nsbma2 *
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* *
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**********************************************************************
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nsbma2_tmp = nsbma2
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return
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end
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**********************************************************************
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subroutine getcutof3(cutof3_tmp)
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**********************************************************************
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#include "cbka.blk"
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#include "control.blk"
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real*8 cutof3_tmp
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**********************************************************************
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* *
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* Report the value of cutof3 *
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* *
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**********************************************************************
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cutof3_tmp = cutof3
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return
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end
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