Unable to covert OUTCAR with dpdata #689
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WalterWhite1611
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Duplicate of #359 |
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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,
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