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fix forces key warning log
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ilyes319 committed May 17, 2024
1 parent 4a4b12b commit c9768ed
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion mace/data/utils.py
Original file line number Diff line number Diff line change
Expand Up @@ -215,7 +215,7 @@ def load_from_xyz(
atoms.info["REF_energy"] = None
if forces_key == "forces":
logging.info(
"Since ASE version 3.23.0b1, using force_key 'forces' is no longer safe when communicating between MACE and ASE. We recommend using a different key, rewriting energies to 'REF_forces'. You need to use --forces_key='REF_forces', to tell the key name chosen."
"Since ASE version 3.23.0b1, using forces_key 'forces' is no longer safe when communicating between MACE and ASE. We recommend using a different key, rewriting energies to 'REF_forces'. You need to use --forces_key='REF_forces', to tell the key name chosen."
)
forces_key = "REF_forces"
for atoms in atoms_list:
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