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bugfix ?
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PythonFZ committed Apr 5, 2024
1 parent a6140e1 commit 0335fa7
Showing 1 changed file with 1 addition and 2 deletions.
3 changes: 1 addition & 2 deletions apax/nodes/md.py
Original file line number Diff line number Diff line change
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import znh5md
import zntrack.utils

from apax.md.nvt import run_md

from .model import Apax
from .utils import check_duplicate_keys

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def run(self):
"""Primary method to run which executes all steps of the model training"""
from apax.md.nvt import run_md

atoms = self.data[self.data_id]
if self.repeat is not None:
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