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OpenDAS
torchani
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c9fe05f9abaf706badd8816b53c22c830db8c8a2
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torchani
examples
ase_interface.py
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Add minimization, and choose better parameter for dynamics for the ASE example (#127)
· c9fe05f9
Gao, Xiang
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Oct 29, 2018
c9fe05f9
ase_interface.py
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