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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3160 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2009-09-16 14:58:03 +00:00
parent 27f0ad5ce3
commit 0ef2356659
1 changed files with 2 additions and 2 deletions
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4
lib/meam/meam_dens_init.F
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@ -158,7 +158,7 @@ c Now compute derivatives
cikj = (2.d0*(xik+xjk) + a - 2.d0)/a
Cmax = Cmax_meam(elti,eltj,eltk)
Cmin = Cmin_meam(elti,eltj,eltk)
if (cikj.ge.Cmax.or.cikj.lt.0.d0) then
if (cikj.ge.Cmax) then
goto 10
c Note that we never have 0<cikj<Cmin here, else sij=0 (rejected above)
else
@ -368,7 +368,7 @@ c if rjksq > ebound*rijsq, atom k is definitely outside the ellipse
cikj = (2.d0*(xik+xjk) + a - 2.d0)/a
Cmax = Cmax_meam(elti,eltj,eltk)
Cmin = Cmin_meam(elti,eltj,eltk)
if (cikj.ge.Cmax.or.cikj.lt.0.d0) then
if (cikj.ge.Cmax) then
goto 10
else if (cikj.le.Cmin) then
sij = 0.d0