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File "c2.py", line 4, in d_log.to('gaussian/log', 'deepmd_log')
File "/home/ubuntu/.local/lib/python3.6/site-packages/dpdata/system.py", line 281, in to
return self.to_fmt_obj(load_format(fmt), *args, **kwargs)
File "/home/ubuntu/.local/lib/python3.6/site-packages/dpdata/system.py", line 1026, in to_fmt_obj
return fmtobj.to_labeled_system(self.data, *args, **kwargs)
File "/home/ubuntu/.local/lib/python3.6/site-packages/dpdata/format.py", line 77, in to_labeled_system
return self.to_system(data, *args, **kwargs)
File "/home/ubuntu/.local/lib/python3.6/site-packages/dpdata/format.py", line 71, in to_system
raise NotImplementedError("%s doesn't support System.to" %(self.class.name)) NotImplementedError: GaussianLogFormat doesn't support System.to
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I want load data from gaussian/log files to convert it to deep-md inputs.
But I get the below error.
thanks
format key in the table :
gaussian | log | False | True | LabeledSystem | 'gaussian/log'
Load data-file
Python code :
import dpdata
d_log = dpdata.LabeledSystem('1.log', fmt = 'gaussian/log')
d_log.to('gaussian/log', 'deepmd_log')
Error
File "c2.py", line 4, in
d_log.to('gaussian/log', 'deepmd_log')
File "/home/ubuntu/.local/lib/python3.6/site-packages/dpdata/system.py", line 281, in to
return self.to_fmt_obj(load_format(fmt), *args, **kwargs)
File "/home/ubuntu/.local/lib/python3.6/site-packages/dpdata/system.py", line 1026, in to_fmt_obj
return fmtobj.to_labeled_system(self.data, *args, **kwargs)
File "/home/ubuntu/.local/lib/python3.6/site-packages/dpdata/format.py", line 77, in to_labeled_system
return self.to_system(data, *args, **kwargs)
File "/home/ubuntu/.local/lib/python3.6/site-packages/dpdata/format.py", line 71, in to_system
raise NotImplementedError("%s doesn't support System.to" %(self.class.name))
NotImplementedError: GaussianLogFormat doesn't support System.to
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