CVS log for ccp4/src/ecalc.f
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fix from Ian for empty shells, see #4132

update licence banners

ecalc failed in almn.exam because we have FP assigned without SIGFP

add new licence banners

explicitly assign output columns to crystal/dataset

a common problem wich clashing Fs.
hopefully ejd and I have got it right... eek

Call CCPRCS after CCPFYP.

cv - mostly mcols to 500

CV - mostly mcols to 500

Es are now MTZ type 'E'

Allow LABIN DPH, and new MODDIFF keyword

A minor change to upercasing made major by ejd :)

EJD: stops ECALC crashing when you have a column labelled F and fail to
reset the default ECALC output of F.

removal of F-OR - ejd

ejd fixes mainly concerning space group

AA may be MNF so check IFLG first.

Adding END keyword

EJD to prevent IOT with low res data

undooing last change

ejd minor cosmetic change

Removal of Scatter plot as info already in tables  (IJT)

cock-up correction and license statement

Changes from EJD:
EXCLUDE keyword added; program uses absolute differences to calculate E;
SIGE also outputed; character variable GRAFLAB changed from *12 to *42.

EJD fix:  column label of F which is being converted to E is written out.
Also, some write statements converted to ccperr.

IJT: ecalc now has an option "SNB" which outputs E's in the format
Shake-and-Bake reads.

Resolution now acted on.

Warning messages printed only once.

Some minor mods.

Missing number stuff OK now, I hope. All reflections written out to MTZ file
but can specify limit when writing to ASCII file. New key word SCALE.

Tidy LABOUT handling

Fix bad common initialisation

EJD: add LABIN/LABOUT, some missing data checks (donesn't look like enough).

Reinstate RCS date.

IJT: Centred space groups do not have reflections in
all parity groups, so division by zero occurred.

IJT: fixed to allow for larger indices

IJT: E. suggested I add more tables to ecalc and also xloggraph it

tidying

IJT: default number of reflections should be bigger

Add/change history info writing for a bunch of programs.  Mostly call the
new LWHSTL.  Several previously called incorrectly LWHIST with scalar
instead of character array.

PGN length wrong (IJT)

version pulled straight from york

copyright

IJT: Someone (Eleanor ?) had put in call to LRRSOL, but
it doesn't work for reasons given in comment.

fix from IJT

change illegal character assignemt

new one from IJT

un-noted changes from york plus PRE fix to make it work

EJD: mod to allow input of FC - no longer compulsory to have a SIGF  - and to use file resolution as refault if no RESO card given..

from IJT: 1 reflection (the one with the maximum resolution) wass sometimes
omitted.

prior to proper attempt at version control

Roughly correposnds to first `official' release of MTZ version for un*x
and VMS around 14--15/5/92.

Initial revision