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remove superfluous print statement
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shinkle-lanl committed Sep 19, 2024
1 parent 0805ce2 commit e904108
Showing 1 changed file with 1 addition and 5 deletions.
6 changes: 1 addition & 5 deletions hippynn/molecular_dynamics/md.py
Original file line number Diff line number Diff line change
Expand Up @@ -483,11 +483,7 @@ def _update_data(self, model_outputs: dict):
try:
self._data[f"output_{key}"].append(value.cpu().detach()[0])
except KeyError:
self._data[f"output_{key}"] = [value.cpu().detach()[0]]

for key, value in variable._data.items():
print(variable.name, key, value.shape)

self._data[f"output_{key}"] = [value.cpu().detach()[0]]

def run(self, dt: float, n_steps: int, record_every: int = None):
"""Run `n_steps` of MD algorithm.
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