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Working changes to write lammps cac

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This commit is contained in:
Alex Selimov 2020-01-13 16:54:52 -05:00
parent 591762d259
commit ba28734fd7
1 changed files with 2 additions and 2 deletions
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4
src/mode_create.f90
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@ -306,9 +306,9 @@ module mode_create
do inod = 1, 8 do inod = 1, 8
do i = 1,3 do i = 1,3
if(is_equal(cubic_cell(i, inod),0.0_dp)) then if(is_equal(cubic_cell(i, inod),0.0_dp)) then
adjustVar(i,inod) = -0.25_dp adjustVar(i,inod) = -0.5_dp
else else
adjustVar(i, inod) = 0.25_dp adjustVar(i, inod) = 0.5_dp
end if end if
end do end do
end do end do