This volume also contains a number of converting subroutines that are useful primarily to the serious programmer. To use effectively even the stand-alone programs in these volumes requires some understanding of FORTRAN. Anyone who intends to use computer techniques will have to learn about computer hardware and computer software. The programs discussed in this volume include LSKIN2, FRS3, GENLSS, CDORD, EQCENT, EDITQ and EDITID, LORAK, and INDEX. But where departures are needed for efficiency, the editors have not hesitated to allow use of small subroutines in nonstandard FORTRAN or in assembly language, with careful documentation. ANSI FORTRAN has been chosen as the language since it provides adequate flexibility and excellent compatibility. The programs in the series fall into two broad classes: complete packages and subroutines. Since the programs in each volume are represented by considerably over 10,000 source cards, arrangements have been made to provide a master tape for each volume. Computer Programs for Chemistry, Volume 4, aims to make available a useful collection of tested programs, which may be expected to have a long useful life.
0 Comments
Leave a Reply. |
AuthorWrite something about yourself. No need to be fancy, just an overview. Archives
December 2022
Categories |