FILTER_ZERO_DET

If present, the code will try to filter out a particular determinant by setting its CI coefficient to zero. FILTER_ZERO_DET = [alphastr, betastr] specifies the absolute alpha and beta string numbers of the target determinant. This could be useful for trying to exclude states that have a nonzero CI coefficient for the given determinant. However, this option was experimental and may not be effective.

  • Type: array

  • Default: No Default