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Update interface_dftd3.py

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loriab committed Jun 30, 2018
1 parent 212b7a0 commit 626e6beccfa1932692cf76dc6e6eea435911bd0e
Showing with 1 addition and 1 deletion.
  1. +1 −1 psi4/driver/qcdb/interface_dftd3.py
@@ -198,7 +198,7 @@ def run_dftd3(mol, func=None, dashlvl=None, dashparam=None, dertype=None, verbos
# We seem to have a problem with one atom, force the correct result
if numAtoms == 1:
os.chdir(current_directory)
os.chdir(current_directory)
dashd = 0.0
dashdderiv = core.Matrix(1, 3)

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