XHYDEX - other versions

There are four files of stuff to do with XHYDEX in this directory.

These are:

1. the FORTRAN source code (xhydexport.for)
2. a set of three test jobs (xhydexport.ins) that may be used to test the program once installed.
3. the output produced by these jobs when run on a VAX computer. (xhydexport.out)
4. A manual which descibes how to use the program. (xhydexport.manual)

On the VAX it was traditional to use a command (.com) file to set up
FORTRAN input and output files for the program as below.

$ ASS/USER 'P1'.INS FOR005
$ ASS/USER 'P1'.LIS FOR006
$ ASS/USER SYS$OUTPUT FOR007
$ R XHYDEX

This attaches a file name.INS to FORTRAN unit 5 which contains the instructions and one called name.LIS to unit 6 for the printed output, and the response to the terminal is directed through unit 7. The program would have been compiled and linked to produce an executable file XHYDEX.EXE on a VAX by commands as below:

$ FORTRAN XHYDEX
$ LINK XHYDEX

Published work using the program should include a reference to the paper reporting its use as below

A.G. Orpen, J. Chem. Soc. Dalton Trans, 1980, 2509.

Good luck
Guy Orpen

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