THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

by F. Mota and J. J. Novoa, Dept. Química Física, Fac. Química, Univ. Barcelona, Av. Diagonal 647, 08028 Barcelona, Spain, after R. C. Raffenetti

This program is a version of the original BIGGMOLI program (QCPE 328) modified to run on the IBM/43341- type of computer. Some changes have been made on the file structure in order to make it compatible with the IBM/4341, taking away some special features of the original program only supported by CDC computers in a direct form. However, the main structure of the CDC version has been maintained with the same names. No use of machine-coded subroutines has been made in this version in order to make the program easier to transfer from one computer to another. Nevertheless, some comments on how to use that facility have been included in the documentation to help the user to make the change (which mainly affects the packing and unpacking of indices).

FORTRAN IV IBM (G1 COMPILER) Lines of Code: 6540