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This archive contains programs psi2.f and graph.f. Program psi2.f
is the original program written by W. Joergensen and D. Severance 
as a part of the suite of the programs PSI/88 for drawing MO wave functions.
The original program (which was not modified by us at all) contains 
calls to some CALCOMP graphic routines 
which were not available to us so we have rewritten these CALCOMP
routines so that now the program can be compiled with MS Fortran
Power Station compiler v. 4.0 and runs under Windows NT. The new
grapic routines are included in the file graph.for.

The only what is required to generate exe file is to create the
project which includes psi2.f and graph.f fortran sources and to link all
object files into one executable. The program was tested und draws 
molecular orbitals in a window.

The suite of the programs PSI/88 contains several other programs
like preplot, psi1, psicon etc. These other programs which only prepare
the input files (without any graphical output) for the final drawing 
program psi2 remain completely unchanged and are to be compiled according
to instructions of the makefile included in the original version of 
Modified: Sun Oct 6 16:00:00 1996 GMT
Page accessed 1518 times since Mon Nov 16 19:51:55 2009 GMT