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fix(pt): fix a typo in DeepEval to check do_atomic_virial (#3570)
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Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
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njzjz committed Mar 20, 2024
1 parent 71ec631 commit 5aa1b89
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion deepmd/pt/infer/deep_eval.py
Original file line number Diff line number Diff line change
Expand Up @@ -388,7 +388,7 @@ def _eval_model(
else:
aparam_input = None
do_atomic_virial = any(
x.category == OutputVariableCategory.DERV_C_REDU for x in request_defs
x.category == OutputVariableCategory.DERV_C for x in request_defs
)
batch_output = model(
coord_input,
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