C C $Id: pme_setup.F,v 1.4 1998/07/16 16:40:21 jjv5 Exp $ C C------------------------------------------------------------------------ subroutine pme_setup implicit double precision(a-h,o-z) #include "divcon.dim" #include "divcon.h" CC-----------------------------------------CC if (setbpme) then coulco = min(dhalf(1),dhalf(2),dhalf(3)) coulco = coulco-1.0E-3 betapme = 3.5/coulco betapme2 = betapme*betapme endif k123pme = k1pme*k2pme*k3pme k123pme2 = 2*k123pme dk1pme = dble(k1pme) dk2pme = dble(k2pme) dk3pme = dble(k3pme) k1pmem1 = k1pme-1 k2pmem1 = k2pme-1 k3pmem1 = k3pme-1 k1pmek2pme = k1pme*k2pme k3pmenspl = k3pme-nspline+1 k2pmenspl = k2pme-nspline+1 k1pmenspl = k1pme-nspline+1 dnspline = dble(nspline) C we always have a rectangular box do i=1,3 recip1(i) = 0.0 recip2(i) = 0.0 recip3(i) = 0.0 enddo recip1(1) = 1.0/dbox(1) recip2(2) = 1.0/dbox(2) recip3(3) = 1.0/dbox(3) end