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removed stale stats in dummy interaction
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Nikhil Shenoy committed Apr 6, 2024
1 parent 2a6e3ef commit 7493273
Showing 1 changed file with 0 additions and 20 deletions.
20 changes: 0 additions & 20 deletions openqdc/datasets/interaction/dummy.py
Original file line number Diff line number Diff line change
Expand Up @@ -2,7 +2,6 @@

from openqdc.datasets.interaction.base import BaseInteractionDataset
from openqdc.methods import InteractionMethod
from openqdc.utils.constants import NOT_DEFINED


class DummyInteraction(BaseInteractionDataset):
Expand All @@ -27,25 +26,6 @@ def _post_init(self, overwrite_local_cache, energy_unit, distance_unit) -> None:
self.setup_dummy()
return super()._post_init(overwrite_local_cache, energy_unit, distance_unit)

@property
def _stats(self):
return {
"formation": {
"energy": {
"mean": np.array([[-12.94348027, -9.83037297]]),
"std": np.array([[4.39971409, 3.3574188]]),
},
"forces": NOT_DEFINED,
},
"total": {
"energy": {
"mean": np.array([[-89.44242, -1740.5336]]),
"std": np.array([[29.599571, 791.48663]]),
},
"forces": NOT_DEFINED,
},
}

def setup_dummy(self):
n_atoms = np.array([np.random.randint(10, 30) for _ in range(len(self))])
n_atoms_first = np.array([np.random.randint(1, 10) for _ in range(len(self))])
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