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quantum_package/src/Nuclei/EZFIO.cfg

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[nucl_num]
doc: Number of nuclei
type: integer
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interface: ezfio, provider
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[nucl_label]
doc: Nuclear labels
type: character*(32)
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size: (nuclei.nucl_num)
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interface: ezfio, provider
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[nucl_charge]
doc: Nuclear charges
type:double precision
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size: (nuclei.nucl_num)
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interface: ezfio, provider
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[nucl_coord]
doc: Nuclear coordinates in the format (:, {x,y,z})
type: double precision
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size: (nuclei.nucl_num,3)
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interface: ezfio