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Common Block FCAL

Specification

COMMON /FCAL/FC,DERIVT(200),FCMOD,COSAL,SINAL,FCDERS(200)
COMPLEX FC,DERIVT

Description

FC the complex structure factor
FCMOD the modulaus of FC
COSAL real(fc)/fcmod
SINAL imag(fc/fcmod)
FCDERS derivatives of FCMOD with respect to all family 2 parameters
DERIVT derivatives of FC with respect to all family 2 parameters

Declared by

CALCFR to use FCMOD COSAL SINAL FCDERS
CALCGR to use FCMOD FCDERS
CALCMG to use FCMOD COSAL SINAL FCDERS
CALCMP to use FCMOD FCDERS
CALCSF to use FCMOD FCDERS
CALPOL to use FC
FMPCAL to use FC FCMOD COSAL SINAL
LFCALC to use all members
LMPCAL to use all members
CHILSQ to use FCMOD
MAGLSQ to use FCMOD
MMPLSQ to use FCMOD
MPLSQ to use FC
SFLSQ to use FC FCMOD
SFTLSQ to use FC FCMOD
CALCTW to use FCMOD FCDERS

Symbolic parameters used

F2VA set to 200 dimensioning DERIVT FCDERS

Common Block FCCDAT

Specification

COMMON /FCCDAT/DATFIL,INSTNM,LONGTI,RUNUSR,STTIME,WSHIST,XCAPT,
&YCAPT,MCAPT
CHARACTER DATFIL*80,INSTNM*8,LONGTI*80,RUNUSR*20,STTIME*20,
&WSHIST*200,XCAPT*40,YCAPT*40,MCAPT*40

Description

Character information used by PICTIC (profile plotting routine)

Common Block FINAME

Specification

COMMON /FINAME/FILNAM(15)
CHARACTER *10 FILNAM

Description

FILNAM the leaf names of files associated with CCSL I/O units

Declared by

CLOFIL to use all members
FILNOM to use all members
FILPRO to use all members
INITIL to use all members
NOPFIL to use all members
OPNFIL to use all members

Symbolic parameters used

FILE set to 15 dimensioning FILNAM

Common Block FOCDAT

Specification

COMMON /FOCDAT/NOTC,NCYMIN,NCYMAX,DELTA,LDFIL,FI,INSTCO,INSTST,
&NXCODE,LNPDFN,AL1,AL2,NOSPEC,NPT,NUMRUN,RUNDUR,TTHET,XMN,XMX,YMN,
&YMX,NYCODE,NEMODE,EFIXED,USERPR(30),TDATA(33000),BACK(33000),
&OBSDAT(33000),CALDAT(33000),ERR(33000),STADAT(33000),YRANGE,IUNIT

Description

Numerical information used by PICTIC (profile plotting routine)

Symbolic parameters used

PTIC set to 33000 dimensioning TDATA BACK OBSDAT CALDAT ERR STADAT

Common Block FONAM

Specification

COMMON /FONAM/FONA(20,1),FONAME(20)
CHARACTER *4 FONAME,FONA

Description

Table of form factor names

Declared by

ATOPOS to use FONAME
DOCHI1 to use FONAME
DOMAG to use FONAME
DOMAG1 to use FONAME
DOMAG2 to use
INPUTQ to use FONAME
ISCAT to use FONAME
MPFORM to use FONAME
PFOUT to use FONAME
PFSET to use FONAME
SETFOR to use FONAME
TBLFND to use FONA
FORFAC to use FONAME

Symbolic parameters used

FORM set to 20 dimensioning FONA FONAME
PHAS set to 1 dimensioning FONA

Common Block FORGRP

Specification

COMMON /FORGRP/NATFOR(20,250),NAFPNT(20)

Description

NATFOR(I,1:n) holds n atom numbers, being a list of which atoms from
A cards have form factor number I.
NAFPNT(I) says how many atoms from A cards have form factor I (which
is therefore the n in the 1:n in the definition of NATFOR).

Declared by

SETFOR to use all members

Symbolic parameters used

ATOM set to 250 dimensioning NATFOR
FORM set to 20 dimensioning NATFOR NAFPNT

Common Block FORMDA

Specification

COMMON /FORMDA/NFORMF(250),MODE(20),NT(20),F(40,20),S(40,20),
&CMULT(20),KCMULT(250),NBAKF(20),NUMFNM,KOM7

Description

NFORMF form factor identifier,
MODE type of form factor
NT number of terms
F form factor table
CMULTcontanst multiplier KCMULTindicates whether it is refined
NBAKF back reference to first atom using this factor
NUMFNM number of form factor names

Declared by

ATOPOS to use NFORMF NBAKF NUMFNM
F2NEW to use CMULT
F2RELA to use NFORMF NBAKF
F2SHFT to use NFORMF CMULT
F2VAR8 to use KCMULT
FCALC to use NFORMF
FMPCAL to use NFORMF
FORMFA to use MODE NT CMULT
INPUTQ to use NUMFNM
ISCAT to use NUMFNM
LFCALC to use NFORMF KCMULT
LMMPCA to use KCMULT
LMPCAL to use NFORMF KCMULT
MPFORM to use NUMFNM
PFORMF to use NFORMF
PFOUT to use NFORMF
PFSET to use NFORMF
SETFOR to use NFORMF MODE NT CMULT NUMFNM
TBLFND to use
FORFAC to use NUMFNM
MPLSQ to use

Symbolic parameters used

ATOM set to 250 dimensioning NFORMF KCMULT
FORM set to 20 dimensioning MODE NT F S CMULT NBAKF
FTAB set to 40 dimensioning F S

Common Block FORMD2

Specification

COMMON /FORMD2/NBKF(20,1),NMFNM(1)

Description

For multiphase refinementss

Declared by

ATOPOS to use all members
TBLFND to use all members

Symbolic parameters used

FORM set to 20 dimensioning NBKF
PHAS set to 1 dimensioning NBKF NMFNM

Common Block FRIED

Specification

COMMON /FRIED/FRIEDL,KOM8
LOGICAL FRIEDL

Description

FRIEDL true if friedel is to be inposed on a non-centrosymmetric
structure

Declared by

ASUNIT to use FRIEDL
OPSYM to use FRIEDL
POLUNI to use FRIEDL
SETFOU to use FRIEDL
SYMFRI to use FRIEDL
SYMUNI to use FRIEDL
TRYUNI to use FRIEDL
ARRINC to use FRIEDL

Common Block FUDG

Specification

COMMON /FUDG/NFUDGE,IFDGPT(20),FUDGE1(20),FUDGE2(20),IFDTYP(20)

Description

NFUDGE number of fudged parameters
FDGPT pointer to parameter
FUDGE1 fudge parameter: factor or lower limit (if range)
FUDGE2 upper limit if range
IFDTYP type of fudge

Declared by

ADJUST to use NFUDGE FUDGE1 FUDGE2
FUDGIN to use NFUDGE FUDGE1 FUDGE2

Symbolic parameters used

FUDG set to 20 dimensioning IFDGPT FUDGE1 FUDGE2 IFDTYP

Common Block FUNIT

Specification

COMMON /FUNIT/NASYM,ASYM(3,3),EDGE(3,3),ANG(3),NMUL,KOM10

Description

Definition of asymmetric unit
NASYM number of planes
ASYM inices of planes
EDGE indices of edges
ANG Dividing angles
NMUL maximum multiplicity

Declared by

INBOX to use NASYM ASYM
MULBOX to use NASYM EDGE NMUL
POLUNI to use NASYM ASYM EDGE ANG
SETGEN to use NASYM ASYM EDGE
SYMUNI to use NMUL
TRYUNI to use NASYM ASYM EDGE ANG NMUL
UNITID to use NASYM ASYM EDGE

Common Block FWVALS

Specification

COMMON /FWVALS/NVALS,COEFFS(9)

Description

Forsyth and Wells coefficients
NVALS number of coefficients
COEFFS A a, B, b .....etc.

Declared by

APSHFW to use COEFFS
CALCFW to use all members
NWINFW to use all members
PARSFW to use NVALS
STLSFW to use all members

Common Block F2NAMS

Specification

COMMON /F2NAMS/F2NAME(44)
CHARACTER *4 F2NAME

Description

F2NAME: names of all family 2 parameters

Declared by

LSETSF to use all members

Symbolic parameters used

F2PR set to 44 dimensioning F2NAME

Common Block F2NUMS

Specification

COMMON /F2NUMS/NF2NUM(3,44)

Description

F2NUMS: specifications of all family 2 parameters

Declared by

LSETSF to use all members

Symbolic parameters used

F2PR set to 44 dimensioning NF2NUM

Common Block F4PARS

Specification

COMMON /F4PARS/NGEN4(1,1),F4VAL(3,1000),F4PAR(3,1000),KF4PAR(3,
&1000),F4PESD(3,1000),KOM6

Description

Specifications of family 4 parameters

Symbolic parameters used

PHAS set to 1 dimensioning NGEN4
REFS set to 1000 dimensioning F4VAL F4PAR KF4PAR F4PESD
SORC set to 1 dimensioning NGEN4

Contents Manual
P. Jane Brown e-mail: brown@ill.fr
Institut Laue Langevin,
Grenoble, FRANCE