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integrating with lammps #262

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ghost opened this issue Jul 13, 2019 · 2 comments
Open

integrating with lammps #262

ghost opened this issue Jul 13, 2019 · 2 comments
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contribute-welcome This is a good-to-have feature, but we don't have time to work on it.

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@ghost
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ghost commented Jul 13, 2019

Hi developers,

Do you have the plan to integrate the ANI-1 with lammps?

Best wishes,

Xin
@zasdfgbnm zasdfgbnm added the contribute-welcome This is a good-to-have feature, but we don't have time to work on it. label Aug 7, 2019
@zasdfgbnm
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Hi @chemxyang, this is a good-to-have feature. But currently, we don't have enough man-power to work on it. It is welcome if someone would like to work on it!

@Jussmith01
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Hi Xin,

We are preparing to release a LAMMPS interface for the NeuroChem binaries (https://github.com/isayev/ASE_ANI). Expect to see it in a month or two.

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