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add impropers to default bond parameters detection #73

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khavernathy opened this issue Jun 11, 2019 · 2 comments

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khavernathy commented Jun 11, 2019

and write into lammps writer

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khavernathy commented Jun 11, 2019

and to the optimization routine

khavernathy added the enhancement label

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khavernathy commented Jun 13, 2019

done with detector -- need to add energy and gradient functions.

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