mirror of
https://github.com/LCPQ/quantum_package
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22 lines
424 B
INI
22 lines
424 B
INI
[nucl_num]
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doc: Number of nuclei
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type: integer
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interface: ezfio, provider
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[nucl_label]
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doc: Nuclear labels
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type: character*(32)
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size: (nuclei.nucl_num)
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interface: ezfio, provider
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[nucl_charge]
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doc: Nuclear charges
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type:double precision
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size: (nuclei.nucl_num)
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interface: ezfio, provider
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[nucl_coord]
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doc: Nuclear coordinates in the format (:, {x,y,z})
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type: double precision
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size: (nuclei.nucl_num,3)
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interface: ezfio |