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pyscf
pyscf-forge
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Implemented PBC and ECP.
- #160
#160
Merged
sunqm
merged 18 commits into
pyscf:master
pyscf/pyscf-forge:master
from
kousuke-nakano:mol_and_scf_from_trexio
kousuke-nakano/pyscf-forge:mol_and_scf_from_trexio
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Nov 17, 2025
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Implemented PBC and ECP.
#160
sunqm
merged 18 commits into
pyscf:master
pyscf/pyscf-forge:master
from
kousuke-nakano:mol_and_scf_from_trexio
kousuke-nakano/pyscf-forge:mol_and_scf_from_trexio
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Update trexio.py
6c43a4d
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