Possible bug? dpdata.LabeledSystem.to() method unable to dump selected frame_idx #769
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Dear community,
Now I want to dump only the last frame into deepmd format. However, when I followed these instructions, i.e., to add frame_idx=-1 kwarg in dpdata.LabeledSystem.to() method, dpdata still dumped all 63 frames:
gave me:
while using command: worked just the way I wanted:
(1, 312) Since the original documentation did not explicitly tell the expected output of LabeledSystem.to(), I'm not sure if the behaviors I had can be defined as a bug. Can someone help explaining this issue? If it can be identified as a bug, I can create a formal issue to be fixed. Appreciated! |
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Replies: 2 comments
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I see. Appreciate that. |
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frame_idx
is not an argument ofto
. It's the argument for specific formats such aslammps/lmp
as given in the example.