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update [ci skip]

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edoapra 2019-09-27 15:33:53 -07:00
parent 12cb5ca441
commit 07aa546e5b
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2 changed files with 4757 additions and 4703 deletions
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QA/tests/oniom2/oniom2.nw
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@ -33,7 +33,7 @@ basis dunning
end
scf; thresh 1e-6; end
dft; xc b3lyp; grid fine; convergence density 1e-6; end
dft; xc b3lyp; grid fine; convergence energy 1d-9; end
oniom
print low

9458
QA/tests/oniom2/oniom2.out
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