All Outputs (4)

Fast assembly of fock matrices utilising symmetry properties of the basis set (1973)
Journal Article

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 about Fast assembly of fock matrices utilising symmetry properties of the basis set.

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), https://doi.org/10.1016/0010-4655%2873%2990029-5

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 about The OPIT system II: job control and scheduling for large applications programs.

The OPIT system part I. (1973)
Journal Article

The OPIT program is briefly described. OPIT is a basis-set-optimising, self-consistent field, molecular orbital program for calculating properties of closed-shell ground states of atoms and molecules. A file handling technique is then put forward whi... Read More about The OPIT system part I..

The survival of Trichuris muris in wild populations of its natural hosts (1973)
Journal Article