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Exclude attribute mesh from to_gpu function
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sunqm committed Nov 22, 2024
1 parent 7b5cbfd commit 227d590
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion pyscf/lib/misc.py
Original file line number Diff line number Diff line change
Expand Up @@ -1534,7 +1534,7 @@ def to_gpu(method, out=None):
# Only overwrite the attributes of the same name.
keys = set(method.__dict__).intersection(out_keys)
# Keys that are not required to convert to cupy array
keep_in_nparray = {'kpt', 'kpts', 'frozen'}
keep_in_nparray = {'kpt', 'kpts', 'mesh', 'frozen'}

for key in keys:
val = getattr(method, key)
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