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Functions to create chemical series data sets.
Classes
class MolecularLatticeError: Common base class for all non-exit exceptions.
Functions
make_atom(...): Prepare a molecular data instance for a single element.
make_atomic_lattice(...): Function to create atomic lattice with n_atoms.
make_atomic_ring(...): Function to create atomic rings with n_atoms.
Other Members | |
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| periodic_hash_table | |
| periodic_polarization | |