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fix a bug in convert_training_data_to_hdf5 #1167

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Merged
merged 2 commits into from
Mar 25, 2023
Merged

fix a bug in convert_training_data_to_hdf5 #1167

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023efd1
fix a bug in `convert_training_data_to_hdf5`
njzjz Mar 23, 2023
6ff54ba
fix tests
njzjz Mar 24, 2023
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4 changes: 2 additions & 2 deletions dpgen/util.py
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Original file line number Diff line number Diff line change
Expand Up @@ -125,7 +125,7 @@ def convert_training_data_to_hdf5(input_files: List[str], h5_file: str):
p1, p2 = pp.split("#")
ff = os.path.normpath(str((dd / p1).absolute().relative_to(cwd)))
pp = ff + "#" + p2
new_pp = os.path.normpath(os.path.relpath(ff, h5_dir)) + "/" + p2
new_pp = os.path.normpath(os.path.relpath(ff, h5_dir)) + p2
else:
pp = os.path.normpath(str((dd / pp).absolute().relative_to(cwd)))
new_pp = os.path.normpath(os.path.relpath(pp, h5_dir))
Expand All @@ -144,7 +144,7 @@ def convert_training_data_to_hdf5(input_files: List[str], h5_file: str):
if "#" in ii:
p1, p2 = ii.split("#")
p1 = os.path.normpath(os.path.relpath(p1, h5_dir))
group = f.create_group(str(p1) + "/" + p2)
group = f.create_group(str(p1) + p2)
s = dpdata.LabeledSystem(ii, fmt="deepmd/hdf5")
s.to("deepmd/hdf5", group)
else:
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