Unable to covert OUTCAR with dpdata #689
Unanswered
WalterWhite1611
asked this question in
Q&A
Replies: 1 comment
-
Duplicate of #359 |
Beta Was this translation helpful? Give feedback.
0 replies
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Uh oh!
There was an error while loading. Please reload this page.
Uh oh!
There was an error while loading. Please reload this page.
-
Hi, I am completely new user of this software. Currently I am facing an issue regarding to convert OUTCAR(https://drive.google.com/file/d/1fjrwdteCJk8hqrtH0rqY80DVrEg0p7fv/view?usp=sharing) with dpdata, where my OUTCAR contains huge number of frames. This code is not working for more than 200 frames.
`import dpdata
dsys = dpdata.LabeledSystem("OUTCAR")
dsys.to("deepmd/npy", "deepmd_data", set_size=dsys.get_nframes())` the issue is,
Beta Was this translation helpful? Give feedback.
All reactions