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Checkpoint file gpu4pysct

Open gk5371 opened this issue 1 year ago • 1 comments

Dear developers,

Is there a way to generate checkpoint file in a gpu4pyscf run? The usual command in pyscf mf.chkfile="file.chk" does not give an output. Thanks.

gk5371 avatar May 11 '24 09:05 gk5371

The checkpoint file is supported with PR https://github.com/pyscf/gpu4pyscf/pull/203 The feature is available since v1.0.2

wxj6000 avatar Sep 16 '24 18:09 wxj6000