THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

by James W. Cooper, Department of Chemistry, The Ohio State University, Columbus, Ohio 43210

NMRIT-IV is a slightly revised version of J. D. Swalen's NMRIT (QCPE 33). The following changes have been made:

1. It has been translated from FORTRAN II to FORTRAN IV. 2. Storage allocations have been revised to accommodate the subroutine PLOT. 3. Since a large number of machine routines are resident during a FORTRAN IV run, MNRIT-IV will only fit by segmentation. It has been segmented for the IBM 7094. For computers with larger core capacity than 32,768 words, the ORIGIN cards are to be removed. 4. Subroutine BEQUAL was found to allow equivalent parameters to become non-equivalent and has been slightly revised to avoid this difficulty. 5. A subroutine PLOT has been included which produces a stick diagram of the NMR spectrum by the line printer. 6. The matrix diagonalization routine HDIAG has been replaced with the far more efficient GIVENS (QCPE 62). 7. A few sorting routines, now unnecessary, have been removed. 8. Backspacing, a very slow process on the IBM 7094, has been eliminated. 9. An extensive series of COMMENT cards has been included to explain the program to the novice. 10. All of the decks have been labeled and numbered. 11. A few FORMAT statements have been revised. 12. A new set of test data has been included. The results should be identical with those reported in Tet. Letter, 1825-1830 (1968).

FORTRAN IV (IBM 7094) Lines of Code: 1547 Recommended Citation: J. W. Cooper, QCPE 11, 126 (1968).