The OPIT system I. A file-handling scheme for data in large applications programs

Packer, J. C.; Brailsford, David F.

doi:10.1016/0010-4655(73)90028-3

Computer Physics Communications

1973

DOI: 10.1016/0010-4655(73)90028-3

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The OPIT system I. A file-handling scheme for data in large applications programs

J. C. Packer

David F. Brailsford

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1973

1978

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Cited by 6 publications

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“…The second is the multiplying factor m ′ which has just been described. Table 1 shows comparative timings for complete calculations on various molecules using the OPIT program [5] on an ICL 1906A computer. In this program the SCF operation is performed many times as the basis set is optimised.…”

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Fast assembly of Fock matrices utilising symmetry properties of the basis set

Brailsford

Hylton

1973

Chemical Physics Letters

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Brailsford, David F. and Hylton, Jane (1973) Fast assembly of fock matrices utilising symmetry properties of the basis set. Chemical Physics Letters, 18 (4 A note on versions:The version presented here may differ from the published version or from the version of record. If you wish to cite this item you are advised to consult the publisher's version. Please see the repository url above for details on accessing the published version and note that access may require a subscription.For more information, please contact eprints@nottingham.ac.uk COLOPHONThe attached paper has no connection with my current research in Computer Science and Digital Documents. It is another in a series of experiments to see how long it takes me to re-build electronic versions of my published early papers as properly re-typeset 'PDF Normal' rather than just as a bitmap scan.This particular paper appeared in the journal "Chemical Physics Letters" (Elsevier) in 1973. It is available online (to subscribers) as a scanned bitmap PDF via: http://www.sciencedirect.com/ The text was acquired by scanning the paper from the original Proceedings and then using Omnipage OCR on the resulting TIFF files. The paper was then re-typeset using UNIX troff suite to set up the correct typeface (Times) and to get the line and page breaks as accurate as possible.The equations and tables were re-set using the troff pre-processors eqn and tbl respectively.The time taken to rebuild this paper was about 2 hours.

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Fast assembly of Fock matrices utilising symmetry properties of the basis set

Brailsford

Hylton

1973

Chemical Physics Letters

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First and second-order properties of charge-localized and Frost-localized orbitals

Amos

Crispin

Smith

1975

Theoret. Chim. Acta

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An improved program for calculating vibrational force constants

Davidson

Duce

1978

Journal of Molecular Structure

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The OPIT system I. A file-handling scheme for data in large applications programs

Cited by 6 publications

References 12 publications

Fast assembly of Fock matrices utilising symmetry properties of the basis set

Fast assembly of Fock matrices utilising symmetry properties of the basis set

First and second-order properties of charge-localized and Frost-localized orbitals

An improved program for calculating vibrational force constants

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