Virial.raw format

[rohskopf]

Should the 9 stress tensor components in virial.raw be organized like:

xx, xy, xz, yx, yy, yz, zx, zy, zz

Or is there a different pattern that is expected?

[jameswind]

That’s correct.

…

On Tue, Apr 21, 2020 at 4:16 PM Drew Rohskopf ***@***.***> wrote: Just to clarify, should the 9 numbers of the stress tensor be organized like: xx, xy, xz, yx, yy, yz, zx, zy, zz Or is there a different pattern that is expected? — 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/218>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/AEJ6DC56B5V5K2HKCHA7NQ3RNX5LDANCNFSM4MNSWQ2Q> .