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QCMP130. MOPAC 7: Molecular Orbital Package Version 7
by James J. P. Stewart, Stewart Computational Chemistry, Colorado Springs, Colorado 80921 Ported to the PC running under OS/2 by Henry A. Kuska, Department of Chemistry, University of Akron, Akron, Ohio 44325 The MOPAC series of programs is well enough known so that a complete description of it is not being given here (see Volume 13, Number 3 of the QCPE Bulletin). This distribution also contains an executable which has been configured at 100 Hydrogens and 100 heavy atoms. The executable is being made available on a royalty- free basis by the developers of the compiler (see below) which was used in producing the executable. To run this system you must have at least 8 megabytes of RAM in addition to running under OS/2. This version of MOPAC 7 does not contain ESP calculation. This system will be distributed in a compressed format. The program for decompression will also be supplied. Lines of Code: 34,000 NDP FORTRAN for OS/2 (Microway¬ 32-bit, pre-release 4.2) |