mirror of
https://github.com/LCPQ/quantum_package
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18 lines
332 B
INI
18 lines
332 B
INI
[energy]
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type: double precision
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doc: Calculated energy
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interface: ezfio
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[thresh_mrcc]
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type: Threshold
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doc: Threshold on the convergence of the MRCC energy
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interface: ezfio,provider,ocaml
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default: 1.e-5
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[n_it_mrcc_max]
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type: Strictly_positive_int
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doc: Maximum number of MRCC iterations
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interface: ezfio,provider,ocaml
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default: 10
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