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Porting MOPAC to other machines

MOPAC is written for the DIGITAL VAX computer. However, the program has been written with the idea that it will be ported to other machines. After such a port has been done, the new program should be given the version number 6.10, or, if two or more versions are generated, 6.20, 6.30, etc. To validate the new copy, QCPE has a test-suite of calculations. If all tests are passed, within the tolerances given in the tests, then the new program can be called a valid version of MOPAC 6. Insofar as is practical, the mode of submission of a MOPAC job should be preserved, e.g.,
   
  (prompt) MOPAC <data-set> [<queue-options>...]

Any changes which do not violate the FORTRAN-77 conventions, and which users believe would be generally desirable, can be sent to the author.



root 2003-07-07