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remove ALL_ENERGY_KEYS
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cw-tan committed Oct 25, 2024
1 parent 77a0e9f commit 7d04b9a
Showing 1 changed file with 0 additions and 10 deletions.
10 changes: 0 additions & 10 deletions nequip/data/_keys.py
Original file line number Diff line number Diff line change
Expand Up @@ -59,16 +59,6 @@
STRESS_KEY: Final[str] = "stress"
VIRIAL_KEY: Final[str] = "virial"

ALL_ENERGY_KEYS: Final[List[str]] = [
EDGE_ENERGY_KEY,
PER_ATOM_ENERGY_KEY,
TOTAL_ENERGY_KEY,
FORCE_KEY,
PARTIAL_FORCE_KEY,
STRESS_KEY,
VIRIAL_KEY,
]

# misc ase property keys
# except for "energy", "energies" (handled with key_mapping)
FREE_ENERGY_KEY: Final[str] = "free_energy"
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