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310. MOPLOT: IBM Version
by D. L. Lichtenberger, University of Illinois, Champaign-Urbana, Illinois 61801 and Richard E. Fenske, University of Wisconsin, Madison, Wisconsin 53706. Modified by Marie Heaton, Department of Chemistry, New Mexico State University, Las Cruces, New Mexico 88001 This is a version of QCPE 284 which has been prepared for the IBM 360/370 series of computers. MOPLOT computes and displays an electron distribution for any function which is expanded in either Slater-type or Gaussian-type basis functions. The program is designed to handle easily large numbers of basis functions and function positions, with optional local coordinate systems for each function. Core functions are given special treatment. Also, any mapping plane may be investigated. The distributions of both orbital wave functions and orbital densities may be computed. The total electron density distributions may be computed by either of two methods, depending on which is more efficient for a particular problem. FORTRAN IV (IBM 360/370) Lines of Code: 1885 Recommended Citation:M. Heaton (after D. L. Lichtenberger and R. E. Fenske), QCPE 11, 310 (1976). |