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