add np.array per issue29

isayev / ASE_ANI

ANI-1 neural net potential with python interface (ASE)

MIT License

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add np.array per issue29 #30

Open bannanc opened 5 years ago

bannanc commented 5 years ago

I raised issue #29 a couple of weeks ago, if you're interested this is what I did to make ase_interface work for me. Note, there are only two real line changes 689 and 701, the others are just from white space changes.