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MODROPA The alpha molecular spin-orbitals which will be dropped prior to the electron correlation calculation. The orbitals are indexed by eigenvalue, with the smallest eigenvalue (most strongly bound) being 1 and the largest eigenvalue equal to the number of basis functions.

Data type: integer. Dimension: NUMDROPA (see below). Written by: xjoda.

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Page last modified on June 10, 2011, at 02:58 AM
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