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1 parent 6ce5a3b commit 7d210f5Copy full SHA for 7d210f5
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alignn/ff/ff.py
@@ -16,7 +16,8 @@
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from ase.optimize.gpmin.gpmin import GPMin
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from ase.optimize.lbfgs import LBFGS, LBFGSLineSearch
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from ase.optimize.mdmin import MDMin
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-from ase.constraints import ExpCellFilter
+# from ase.constraints import ExpCellFilter
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+from ase.filters import ExpCellFilter
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from ase.eos import EquationOfState
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from ase.units import kJ
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from ase.optimize.sciopt import SciPyFminBFGS, SciPyFminCG
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