What does the box.raw data mean?

[zcrwind]

In the readme, the authors say that the box.raw data should be prepared. However, I cannnot find the specific meaning of the box.raw data in neither paper or readme. Can someone help me with this? Many thanks.

[jameswind]

It is in the Readme: "... In box.raw, the 9 components of the box vectors should be provided on each line ..."

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On Fri, Jan 4, 2019 at 8:57 PM Chenrui Zhang ***@***.***> wrote: In the readme, the authors say that the box.raw data should be prepared. However, I cannnot find the specific meaning of the box.raw data in neither paper or readme. Can someone help me with this? Many thanks. — You are receiving this because you are subscribed to this thread. Reply to this email directly, view it on GitHub <https://github.com/deepmodeling/deepmd-kit/issues/13>, or mute the thread <https://github.com/notifications/unsubscribe-auth/ARPhi1U94DwvTef4eK7HmKHcHql_-m_jks5vAAaEgaJpZM4ZurFa> .

[yanggthomas]

hi, does this mean that deepmd is supposing triclinic coordinates by default

[wanghan-iapcm]

yes