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NEB hasmiddle bug fix

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Daniel Mejia-Rodriguez 2024-01-16 20:34:58 -08:00 • committed by edoapra
parent 8bfd0073a6
commit 2ac8df2b89
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1 changed files with 5 additions and 4 deletions
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9
src/optim/neb/neb_utils.F
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@ -868,10 +868,11 @@ c
if (.not.geom_rtdb_load(rtdb,geom,'midgeom')) then
hasmiddle = .false.
end if
else
if (.not.geom_cart_coords_get(geom,dbl_mb(rmid(1))))
> call errquit('neb_initial_path failed',2,0)
end if
endif
endif
if (hasmiddle) then
if (.not.geom_cart_coords_get(geom,dbl_mb(rmid(1))))
> call errquit('neb_initial_path failed',2,0)
end if
if (oprint) then