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No need for extra elements in list if allocation is correct
Signed-off-by: Igor S. Gerasimov <foxtranigor@gmail.com>
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src/gfnff/gfnff_ini2.F90

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Original file line numberDiff line numberDiff line change
@@ -1426,20 +1426,6 @@ subroutine gfnff_hbset0(n, at, xyz, topo, nhb1, nhb2, nxb, neigh, nlist, hbthr1,
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!$omp end parallel
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1429-
! the actual size can be larger, so make it save
1430-
if (neigh%numctr > 1) then
1431-
nhb1 = (nhb1 * 27)
1432-
nhb2 = (nhb2 * 27)
1433-
else
1434-
nhb1 = (nhb1 * 6)
1435-
nhb2 = (nhb2 * 6)
1436-
end if
1437-
if (nxb > 1000) then
1438-
nxb = (nxb * 25)
1439-
else
1440-
nxb = (nxb * 10)
1441-
end if
1442-
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end subroutine gfnff_hbset0
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!ccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc

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