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Fast assembly of fock matrices utilising symmetry properties of the basis set (1973)
Journal Article
Brailsford, D. F., & Hylton, J. (1973). Fast assembly of fock matrices utilising symmetry properties of the basis set. Chemical Physics Letters, 18(4), ISSN 0009-2614

A method of assembling the elements of the Fock matrix is described which is a modification of that due to Dacre. Lists of symmetry equivalent one-electron integrals are used as pointers to abbreviate the process of collecting two-electron integrals... Read More

The OPIT system II: job control and scheduling for large applications programs (1973)
Journal Article
Brailsford, D. F., & Prentice, J. A. (1973). The OPIT system II: job control and scheduling for large applications programs. Computer Physics Communications, 5(2), doi:10.1016/0010-4655(73)90029-5. ISSN 0010-4655

A strategy is described for a controlling algorithm (‘the job’) to schedule and supply many data sets (‘problems’) to a large, long-running applications program. The algorithm also controls very closely the run time environment of each problem and pr... Read More