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https://github.com/LCPQ/quantum_package
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15 lines
278 B
INI
15 lines
278 B
INI
[elec_alpha_num]
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type: integer
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doc: elec_alpha_num
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interface: ezfio
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[elec_beta_num]
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type: integer
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doc: elec_beta_num
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interface: ezfio
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[elec_num]
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type: integer
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doc: name of the ao basis
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size: =(electrons.elec_alpha_num + electrons.elec_beta_num)
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interface: ezfio |