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513. AMPAC (Apollo Version) (Version 1.0)
Modified by Charles H. Reynolds and Thomas H. Pierce, Computer Applications Research, Rohm and Haas, Spring House, Pennsylvania 19477, after Dewar Research Group, Chemistry Department, University of Texas and James J. P. Stewart, Seiler Research Labs, U.S. Air Force Academy, Colorado Springs, Colorado 80840 This is a direct conversion of QCPE 506 (AMPAC, version 1.0) for use on APOLLO workstations. This system implements the MINDO/3, MNDO and AM1 Hamiltonians. It also includes a full C.I. The parameters for H, Be, B, C, N, O, F. Hg, Al, Si, Ge, Sn, Pb, P, S, Cl, Br and I are available for the MNDO Hamiltonian. At the AM1 level, the parameters for H, C, N, O, F, Cl, Br and I are available. FORTRAN 77 (APOLLO) Lines of Code: 25,000 NOTE:This system will be distributed in a labeled and blocked format for convenient use by APOLLO computers. |