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rm rcut from DeepmdDataSystem #3106

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Merged
wanghan-iapcm merged 1 commit into from
Jan 5, 2024
Merged

rm rcut from DeepmdDataSystem #3106

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6 changes: 3 additions & 3 deletions deepmd/utils/data_system.py
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Original file line number Diff line number Diff line change
Expand Up @@ -37,7 +37,7 @@ def __init__(
systems: List[str],
batch_size: int,
test_size: int,
rcut: float,
rcut: Optional[float] = None,
set_prefix: str = "set",
shuffle_test: bool = True,
type_map: Optional[List[str]] = None,
Expand All @@ -59,7 +59,7 @@ def __init__(
test_size
The size of test data
rcut
The cut-off radius
The cut-off radius. Not used.
set_prefix
Prefix for the directories of different sets
shuffle_test
Expand Down Expand Up @@ -91,7 +91,7 @@ def __init__(
descriptors except mixed types.
"""
# init data
self.rcut = rcut
del rcut
self.system_dirs = systems
self.nsystems = len(self.system_dirs)
self.data_systems = []
Expand Down