Routines Available

Most CCSL routines can be assigned to one of the three broad categories introduced in the small sample main program of Chapter 1. These are:

A.

Setting-up routines, concerned with input of information and preparation for subsequent calculation;

B.

Crystallographic routines, doing specific calculations such as a Fourier section, a structure factor or an absorption correction;

C.

Utility routines, which are of more general use, being small routines to perform tasks such as the solution of spherical triangles, matrix multiplication or a vector product.

The boundaries between categories are not rigid. In general, category C routines can be used in many contexts and do not include labelled COMMON (other than /IOUNIT/ which associates FORTRAN input/output units with physical devices). Category B are useful in more specific contexts; various output routines are included. Category A includes all routines which read from the Crystal Data; most of these routines are used just once at the start of a job.

Within each category there is a wide range of material. Some attempt at further classification follows. Some routines are of obvious use to users who write their own main programs, whereas some belong internally to CCSL.

All the routines available at the time of writing are listed here. The user should also consult the separate Appendix A, which gives more detail and may be more up-to-date. see:
Classified List of Subroutines
Alphabetic List of Subroutines