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I Instructions to programs

An I card starts with I followed by a series of CCSL-word/number pairs. The main program decides how this information is interpreted.

For programs like ARRNGE, ARRINC the vocabulary is:

DTYP
format for input data (mandatory)
PRIN
control of output format (default=1)
RNUM
control of record number output (default=0)
WGHT
weighting scheme required (default=0)
REJ
whether a list of rejections is to be supplied (default=0)
whose meanings are explained in the relevant program specifications. Routine IICD3 interprets the I card according to the meanings above.

For LSQ programs the vocabulary is:

NCYC
number of cycles (default 3)
CYC1
number to be assigned to first cycle (default 1)
PRIN
frequency at which output lists are printed (default 2)
PRIN=0 no printing
PRIN=1 first cycle
PRIN=2 last cycle
PRIN=3 first and last cycles
PRIN=4 every cycle
MCOR
controls the output of correlations at end of job (default +70)
MCOR=0 whole correlation matrix printed
MCOR $-$ve no printing
MCOR +ve correlations above MCOR printed
CONV
convergence criterion; LSQ cycling is terminated if the maximum

\begin{displaymath}shift/\sigma < CONV \mbox{(default 0.01)}\end{displaymath}

Routine IICD1 interprets the I card according to the meanings above.

ROUTINES WHICH READ THE CARDS:

Routine INPUTI reads and stores all the information from I cards without interpreting it. LOGICAL FUNCTION ONCARD('I',WORD,X) will detect the particular WORD if it has been given on an I card, and set X to the value of the number following it.


next up previous
Next: J Data for structure Up: THE CRYSTAL DATA FILE Previous: G Data for absorption
P.J. Brown - Institut Laue Langevin, Grenoble, FRANCE. e-mail brown@ill.fr