Enable pbc kwarg to alter ase atoms objects within _read_ase_readable method. #194
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YutackPark merged 2 commits intoMDIL-SNU:mainfrom Mar 29, 2025
Merged
Enable pbc kwarg to alter ase atoms objects within _read_ase_readable method. #194YutackPark merged 2 commits intoMDIL-SNU:mainfrom
pbc kwarg to alter ase atoms objects within _read_ase_readable method. #194YutackPark merged 2 commits intoMDIL-SNU:mainfrom
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Pull Request Overview
This PR enables the use of the "pbc" keyword argument to alter ASE atoms objects within the _read_ase_readable method by explicitly setting each atom's pbc property.
- Extracts the "pbc" flag from the keyword arguments.
- Iterates over the atoms_list to update the pbc property of each atom.
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Nice! thanks for merging |
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