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540. DENSITY: Density Plotting Routine (IBM 3090
Version)
by James J. P. Stewart, Frank J. Seiler Research Laboratory, U.S. Air Force Academy, Colorado 80840 Converted and modified by Wii Huang, Department of Chemistry, Indiana University, Bloomington, Indiana 47405 This system is both a conversion and modification of QCPE 492 (MOPAC/DENSITY) in that, whereas QCPE 492 is driven by output from MOPAC (QCPE 455), this version is driven by output from AMPAC (QCPE 539). This system can present a two-dimensional view of any planar cross section of the charge density from wave functions generated by QCPE 539. This version of DENSITY utilizes the IBM ESSL library and requires that the user have an IBM 3279 graphics terminal or its equivalent. The actual graphics output is produced using the IBM graPHIGS system.(PHIGS stands for Programmers Hierarchical Interactive Graphics System.) In this system, the actual graphics commands are an integral part of the basic program. FORTRAN (IBM 3090) Lines of Code: 1400 |