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https://github.com/LCPQ/quantum_package
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11 lines
197 B
INI
11 lines
197 B
INI
[energy]
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type: double precision
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doc: "Calculated CAS-SD energy"
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interface: ezfio
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[energy_pt2]
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type: double precision
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doc: "Calculated selected CAS-SD energy with PT2 correction"
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interface: ezfio
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