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Integrate further into ASE #8

@chpxu

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@chpxu

CONQUEST has an ASE interface. To allow interoperability, make the Atom class inside conquest2a.conquest have a method to return an ASE Atoms object. This requires the following adjustments:

  • Allow conquest2a's Atom to be converted to and from ASE Atoms
    • Make the lattice parameters part of the Atom class, like in ASE's Atoms.cell
    • Convert Atom to ASE's Atom, then construct ASE's Atoms from this list
    • Modify code to work with new conquest2a's atoms

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