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bug fix...EJB

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This commit is contained in:
Eric Bylaska 2010-10-26 21:20:46 +00:00
parent 0c318d0999
commit cf8ac45d08
1 changed files with 1 additions and 1 deletions
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src/nwpw/pspw/qmmm/pspw_LJ/pspw_LJ.F
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@ -346,7 +346,7 @@ c **** MM/MM LJ self image energy ****
jj = katm(j)
e1 = dbl_mb(epsilon_all(1)+(jj-1)*nkatm+jj-1)
s1 = dbl_mb(sigma_all(1) +(jj-1)*nkatm+jj-1)
if ((e2.gt.1.0d-11)) then
if ((e1.gt.1.0d-11)) then
E = E + pspw_VLJ_E_periodic_image(e1,s1,nshl3d,rcell)
end if
end if