Implement Support for pymatgen.core.Molecule#200

Merged

amcadmus merged 13 commits into

deepmodeling:develfrom

tuoping:supportMolecule

Oct 18, 2021

Commits on Aug 23, 2021

add .github/workflows/mirror_gitee.yml
tuoping
committed

Commits on Sep 9, 2021

pull
tuoping
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Commits on Sep 13, 2021

implement support for pymatgen.core.Molecule
tuoping
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implement support for pymatgen.core.Molecule
tuoping
committed

Commits on Sep 14, 2021

Change atom_types in dpdata/pymatgen/molecule.py
tuoping
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Change doc string in dpdata/plugins/pymatgen.py
tuoping
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add dpdata/pymatgin to setup.py
tuoping
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Commits on Sep 24, 2021

Commits on Sep 29, 2021

Support of pymatgen.Molecule in dpdata
tuoping
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Update tests/test_pymatgen_molecule.py
tuoping
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Commits on Oct 4, 2021

Moved "remove_pbc" from pymatgen/molecule.py to system.py
tuoping
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