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372. INDOCI/RINDO: Systems for Semi-Empirical MO
Calculations
by W. Haque, Department of Physics, Mithila University, Darbhanga, India INDOCI is a program to do INDO/S and CNDO/S CI calculations. The program can calculate INDO/CNDO wavefunctions for restricted open- and closed-shell systems with 30 centers and 60 orbitals. These programs are parameterized for H, C, N, O, and F. This system is sufficiently flexible to handle both molecules and radicals. RINDO performs MRINDO/RCNDO CI calculations as described by the author in J. Chem. Phys., 67, 3629 (1977). The present version can treat systems with up to 17 centers and 96 orbitals. RINDO is also parameterized for H, C, N, O, and F. FORTRAN IV (CDC 6600) Lines of Code: 3786 Recommended Citation: W. Haque, QCPE 11, 372 (1979). |