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QCPE
THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE
Main / Catalog / Section05
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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).
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