2015-07-02 15:55:57 +02:00
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[ao_basis]
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type: character*(256)
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doc: name of the ao basis
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interface: ezfio
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[ao_num]
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type: integer
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doc: number of ao
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2015-07-02 16:51:56 +02:00
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interface: ezfio, provider
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2015-07-02 15:55:57 +02:00
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[ao_prim_num]
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type: integer
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doc: number of prim
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size: ao_basis.ao_num
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interface: ezfio
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[ao_prim_num_max]
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type: integer
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doc: number of power
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2015-07-02 16:51:56 +02:00
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default: =maxval(ao_basis.ao_prim_num)
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2015-07-02 15:55:57 +02:00
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interface: ezfio
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[ao_nucl]
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type: integer
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doc: number of prim
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size: ao_basis.ao_num
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interface: ezfio
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[ao_power]
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type: integer
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doc: number of power
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size: (ao_basis.ao_num,3)
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interface: ezfio
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[ao_coef]
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type: double precision
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doc: number of power
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size: (ao_basis.ao_num,ao_basis.ao_prim_num_max)
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interface: ezfio
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[ao_expo]
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type: double precision
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doc: number of power
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size: (ao_basis.ao_num,ao_basis.ao_prim_num_max)
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interface: ezfio
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[ao_md5]
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type: character*(32)
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doc: number of power
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interface: ezfio
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