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QC_TYPEΒΆ

Chooses the type of the quadratically-convergent algorithm (effective for ALGORITHM = QC). If set to TWOSTEP the Newton-Raphson equations are only solved for the orbital updates, the cumulant is updated using the standard Jacobi algorithm. If set to SIMULTANEOUS both cumulant and orbitals are updated in a single Newton-Raphson step.

  • Type: string
  • Possible Values: TWOSTEP, SIMULTANEOUS
  • Default: SIMULTANEOUS

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