Common Block SATELL
Specification
COMMON /SATELL/PROP(3),KPROP(3),KSTAB(49),NKSTAR,IPROP,FKSTAR,NKC,
&KCENT,INCOM,KOM21
LOGICAL INCOM
Description
-
PROP, KPROP magnetic propagation vector and refinement switch
KSTAB Symmetry table for configuration symmetry
NKSTAR number of arms in the star of PROP
IPROP Type of magnetic reflections
FKSTAR factor to scale magnetic intensities to account for
multiplicity of the star
KCENT 2 if PROP .NE. -PROP
Declared by
-
APSHDS to use
PROP
CALDSM to use
KPROP
FCHALC to use
FMCALC to use
KSTAB IPROP FKSTAR
FMMPCA to use
KSTAB IPROP FKSTAR
GENMAG to use
PROP KSTAB NKSTAR IPROP
ICDFMT to use
PROP IPROP
KSTARS to use
PROP KSTAB
LMCALC to use
KSTAB IPROP FKSTAR
LMMPCA to use
KSTAB IPROP FKSTAR
MAGABS to use
PROP IPROP
MAGCON to use
PROP KSTAB IPROP
MAGDOM to use
KSTAB
MAGSYM to use
KSTAB
OPMSYM to use
KSTAB
PROPAG to use
PROP KPROP KSTAB IPROP
PROPER to use
PROP KSTAB NKSTAR IPROP FKSTAR NKC KCENT INCOM
PSICON to use
SATFND to use
KSTAB NKSTAR
SATGEN to use
PROP KSTAB KCENT
ARRINC to use
KSTAB NKC
ICDINC to use
IPROP NKC KCENT
CALMSF to use
IPROP
CALQSF to use
IPROP KCENT
LCHALC to use
GETMSF to use
NKSTAR IPROP
INCMSF to use
KSTAB NKC
ICDINC to use
IPROP NKC KCENT
MAG3D to use
PROP KSTAB NKC
MAGPOW to use
PROP NKSTAR IPROP
MG3DGL to use
KSTAB NKC
MVENTR to use
PROP
PALSQ to use
IPROP
Symbolic parameters used
-
SY+1 set to 49 dimensioning KSTAB
Common Block SCAN
Specification
COMMON /SCAN/PL(100),DP(100),VAR(100),PLMIN,PLMAX,VMIN,VMAX,ICYC,
&SA,JANG
Description
-
Data for a scan
Common Block SCLDAT
Specification
COMMON /SCLDAT/ISCALE,NSCALE,SCALE(20),KSCALE(20),NSCL,LSCD(10)
Description
-
Scale data for least squares
Declared by
-
CALCFR to use
ISCALE SCALE KSCALE
CALCGR to use
ISCALE SCALE KSCALE
CALCMG to use
ISCALE SCALE KSCALE
CALCMP to use
ISCALE SCALE KSCALE
CALCSF to use
ISCALE SCALE KSCALE
CALPOL to use
SCALE KSCALE
INPLSF to use
NSCALE
LLSCAL to use
NSCALE SCALE KSCALE NSCL LSCD
RREFSF to use
ISCALE NSCALE
STLSSF to use
NSCALE
CHILSQ to use
ISCALE SCALE
MAGLSQ to use
ISCALE SCALE
MMPLSQ to use
ISCALE SCALE
MPLSQ to use
ISCALE SCALE
SFLSQ to use
ISCALE SCALE
SFTLSQ to use
ISCALE SCALE
CALCTW to use
ISCALE SCALE KSCALE
Symbolic parameters used
-
SCAL set to 20 dimensioning SCALE KSCALE
Common Block SCRACH
Specification
COMMON /SCRACH/MESSAG,NAMFIL
CHARACTER *80 ICARD,MESSAG*100,NAMFIL*100
EQUIVALENCE (ICARD,MESSAG)
Description
-
Shared character buffers
ICARD receives all data read from CDF or with ASK
Declared by
-
ABSCOR to use
MESSAG
ARREAD to use
all members
ASK to use
BIGGAM to use
CARDIN to use
CDFIN to use
CDSCAN to use
CELNEW to use
DOCHI1 to use
all members
DOMAG to use
DOMAG1 to use
DOMAG2 to use
DOMPL2 to use
DOTWN1 to use
DOTWN2 to use
ERRATM to use
ERRCH2 to use
ERRIN2 to use
ERRRE2 to use
F2NEW to use
FILPRO to use
NAMFIL
FINDCD to use
FORIER to use
all members
FUDGIN to use
GETDC to use
MESSAG
INITIL to use
all members
INOBGR to use
MESSAG
INPUTA to use
INPUTC to use
INPUTD to use
INPUTF to use
INPUTJ to use
INPUTM to use
NAMFIL
INPUTN to use
INPUTQ to use
INPUTS to use
INPUTT to use
LISPEC to use
MESSAG
MAGCON to use
MAJUST to use
all members
MOLORB to use
NEWCD to use
all members
NEWCRY to use
all members
NOPFIL to use
all members
NWINDS to use
NWINFW to use
NWINSF to use
all members
NWINT2 to use
OTPUTI to use
PIGLET to use
PLOTO to use
PREFIN to use
all members
PROPAG to use
PSFILE to use
MESSAG
RADFUN to use
RDDATA to use
RDINTG to use
RDREAL to use
RDWORD to use
READRT to use
REAPOL to use
REJECT to use
all members
SAVMAP to use
SAYS to use
SETFOR to use
SETPOL to use
SPGNAM to use
ABSMSF to use
NAMFIL
ADDFC to use
NAMFIL
ARRINC to use
all members
ARRNGE to use
all members
AVEXAR to use
all members
BONDS to use
all members
CALMSF to use
NAMFIL
CALQSF to use
NAMFIL
CHILSQ to use
MESSAG
D3OP99 to use
all members
AISPRC to use
all members
CENPRC to use
all members
NCHECK to use
all members
INFILE to use
EXTCAL to use
all members
FORFAC to use
NAMFIL
GENREF to use
NAMFIL
GETMSF to use
NAMFIL
GETSFZ to use
NAMFIL
GRAFIC to use
INCMSF to use
NAMFIL
MADUBM to use
all members
MAG3D to use
MAG3DX to use
POSOUT to use
MESSAG
MAGLSQ to use
MESSAG
MAGPOW to use
NAMFIL
MEANWT to use
MG3DGL to use
MESSAG
MMPLSQ to use
MESSAG
MPLSQ to use
all members
MVENTR to use
MVENTX to use
NVENTR to use
all members
PALSQ to use
all members
POWDER to use
NAMFIL
SFLSQ to use
MESSAG
SFTLSQ to use
MESSAG
SORGAM to use
all members
Symbolic parameters used
-
FNAM set to 100 dimensioning NAMFIL
MESS set to 100 dimensioning MESSAG
Common Block SLAKDA
Specification
COMMON /SLAKDA/NSLAK(4),SLKSWD(4),SLAKWT(4),CHISQD(4),ISLKTP,
&NSKTOT,KOM24
Description
-
Data describing slack constraints
Declared by
-
ADDATM to use
DFLTMG to use
NSLAK
DFLTSF to use
NSLAK
GEOMCO to use
NSLAK
GEOMIN to use
NSLAK SLAKWT NSKTOT
GEOMLS to use
NSLAK SLAKWT ISLKTP
INPLSF to use
NSLAK NSKTOT
MATSHF to use
NSKTOT
PARSSF to use
NSLAK
RFACS to use
NSLAK SLKSWD SLAKWT ISLKTP NSKTOT
STLSSF to use
NSLAK
SFLSQ to use
NSLAK
SFTLSQ to use
NSLAK
DFTWSF to use
NSLAK
Symbolic parameters used
-
SKTP set to 4 dimensioning NSLAK SLKSWD SLAKWT CHISQD
Common Block SLKGEC
Specification
COMMON /SLKGEC/ATTNAM(20),BONNAM(20),ANGNAM(100),TORNAM(100)
CHARACTER *4 ATTNAM,BONNAM,ANGNAM,TORNAM
Description
-
Definitions of slack constraints
Declared by
-
ADDANG to use
ATTNAM BONNAM ANGNAM
ADDATM to use
ATTNAM
ADDBON to use
ATTNAM BONNAM
ADDTOR to use
all members
ANGLST to use
BONNAM ANGNAM
BNDLST to use
ATTNAM BONNAM
BONTRI to use
BONNAM
GEOMCO to use
ATTNAM
GEOMIN to use
ATTNAM BONNAM ANGNAM
GEOMLS to use
all members
RDANGL to use
BONNAM
RDBOND to use
ATTNAM
Symbolic parameters used
-
SANG set to 100 dimensioning ANGNAM
SLAK set to 20 dimensioning ATTNAM BONNAM
TANG set to 100 dimensioning TORNAM
Common Block SLKGEO
Specification
COMMON /SLKGEO/NSTYP,BOBS(20),EOBS(20),IATM(20,2),ISYM(20),
&ILAT(20),CELLTR(3,20),XSLAK(3,20),COSIN(3,3),IABASE(20),NST1,
&SLONLY,TOSTAR(6,6),BCALC(20),DERCEL(6,20),DERPOS(3,20,2),
&ITYPSK(20),INVBON(10,20),NINVB(20),INANG(100,3),INTOR(100,6),
&DERBON(10),NVB(10),NUMBON,NTARNM,NUMANG,NUMTOR,KOM25
LOGICAL SLONLY
Description
-
Geometry of slack constraints
Declared by
-
ADDANG to use
INANG NUMBON NTARNM NUMANG
ADDATM to use
ISYM ILAT CELLTR XSLAK IABASE NTARNM
ADDBON to use
IATM NUMBON NTARNM
ADDTOR to use
IATM INTOR NUMBON NTARNM NUMANG NUMTOR
ANGLST to use
NUMANG
BNDLST to use
NUMBON NTARNM
BONDER to use
IATM ISYM XSLAK COSIN TOSTAR BCALC DERCEL DERPOS
BONTRI to use
IATM
GEOMCO to use
ISYM ILAT CELLTR XSLAK COSIN IABASE TOSTAR NTARNM
GEOMIN to use
NSTYP BOBS EOBS IATM XSLAK NST1 SLONLY ITYPSK INVBON NINVB INANG NUMBON NTARNM NUMANG NUMTOR
GEOMLS to use
BOBS EOBS IATM IABASE NST1 SLONLY BCALC DERCEL DERPOS ITYPSK INVBON NINVB DERBON NVB NUMBON
INPLSF to use
NUMBON
RDANGL to use
NUMBON
RDBOND to use
NTARNM
RFACS to use
SLONLY
SETFOR to use
SLONLY
STLSSF to use
SLONLY
SFLSQ to use
SLONLY
SFTLSQ to use
SLONLY
Symbolic parameters used
-
INVB set to 10 dimensioning INVBON DERBON NVB
SANG set to 100 dimensioning INANG
SLAK set to 20 dimensioning BOBS EOBS IATM ISYM ILAT CELLTR XSLAK IABASE BCALC DERCEL DERPOS ITYPSK INVBON NINVB
TANG set to 100 dimensioning INTOR
Common Block SOURCE
Specification
COMMON /SOURCE/NSOURC,JSOURC,KSOURC,NDASOU(1),METHOD(1),NPFSOU(1,
&1),NSOBS(1),SCALES(1),KSCALS(1),NPCSOU(1,1),LRFSRC(1,1)
Description
-
Multi-source information
Declared by
-
DOMPL2 to use
FIXVAR to use
FUDGIN to use
KSOURC
INITIL to use
NSOURC JSOURC KSOURC
MATINV to use
KSOURC
PARNAM to use
KSOURC
PARRD to use
JSOURC KSOURC
PRIVAR to use
KSOURC
PRIWRD to use
KSOURC
RDFV to use
KSOURC
RDWORD to use
KSOURC
SPHELI to use
JSOURC
TBLFND to use
VARMAK to use
NSOURC JSOURC
VOCAB to use
KSOURC
WGHTLS to use
JSOURC KSOURC
Symbolic parameters used
-
PHAS set to 1 dimensioning METHOD NPFSOU NPCSOU LRFSRC
SORC set to 1 dimensioning NDASOU NPFSOU NSOBS SCALES KSCALS NPCSOU LRFSRC
Common Block SPLBCK
Specification
COMMON /SPLBCK/SCOEFF(100,1)
Description
-
Coefficients of splines used for backgrounds
Symbolic parameters used
-
BACK set to 100 dimensioning SCOEFF
SORC set to 1 dimensioning SCOEFF
Common Block STATS
Specification
COMMON /STATS/WRK1(5),WRK2(5),WRK3(5),AMEAN(2),DEV(2),SUMS(12),X,
&DX,RAT,DRAT
Description
-
Holds statisics for a group of equivalent reflections
Declared by
-
STATIS to use
WRK1 WRK2 WRK3 AMEAN DEV SUMS DX RAT DRAT
ABSMSF to use
AMEAN DEV SUMS
PATHS to use
WRK2
INCMSF to use
AMEAN DEV SUMS
Common Block SYMDA
Specification
COMMON /SYMDA/SYM(3,3,48),TRANS(3,48),ALAT(3,4),ORIGIN(3),KOM26
Description
-
SYM rotation matrice of symmnetry operators
TRANS translation vectors of symmnetry operators
ALAT non-primitive lattive translations,
ORIGIN(3) displacement of origin from centre (not yet used)
Declared by
-
ATMPLO to use
ALAT
ATMPLT to use
ATOGEN to use
TRANS
ATOPOS to use
TRANS
BNDLST to use
TRANS ALAT
DOCHI1 to use
SYM
DOMPL2 to use
EQOP to use
ALAT
ERRMAP to use
TRANS
F2RELA to use
SYM
FCALC to use
TRANS
FCHALC to use
TRANS
FMCALC to use
TRANS
FMMPCA to use
TRANS
FMPCAL to use
TRANS
ISPABS to use
TRANS
LATABS to use
ALAT
LFCALC to use
TRANS
LMCALC to use
TRANS
LMMPCA to use
TRANS
LMPCAL to use
TRANS
MAGCON to use
TRANS
MAGSYM to use
SYM
MPCON to use
SYM
MUCALC to use
TRANS
NORDER to use
SYM
OPSYM to use
SYM TRANS ALAT
PROPAG to use
SYM
PSICON to use
RELMT3 to use
SYM
RELPOS to use
SYM
ROTOSM to use
SYM
ROTSYM to use
SYM
SUBSYM to use
SYM TRANS
SYMBAK to use
SYM TRANS
SYMCEN to use
ORIGIN
SYMEQU to use
TRANS
SYMOP to use
ALAT
SYMREF to use
TRANS
SYMTID to use
SYM TRANS
SYMUNI to use
SYM
UNUSYM to use
SYM TRANS
USYM to use
SYM TRANS
XROOT to use
TRANS ALAT
XTRANS to use
TRANS ALAT
XYZREL to use
SYM
LCHALC to use
TRANS
MAG3D to use
TRANS ALAT
MG3DGL to use
TRANS ALAT
MVENTR to use
TRANS ALAT
Symbolic parameters used
-
SYMO set to 48 dimensioning SYM TRANS
Common Block SYMMAG
Specification
COMMON /SYMMAG/MTSYM(49),MSTAB(49),NMSYM,OTRSYM(3,3,49),MTYP,NDOM,
&FERO,FERA,HELI,AMOD,ANTI,MODUL,MAGCEN,KOM20
LOGICAL FERO,FERA,HELI,AMOD,ANTI,MODUL,MAGCEN
Description
-
MTSYM time inversion operator for each symmetry element
MSTAB magnetic symmetry table
NMSYM number of elements in the magnetic group
OTRSYM magnetic symmetry operators on orthogonal axes
MTYP type of magnetic structure
NDOM number of s domains
FERO,FERA,HELI,AMOD,ANTI,MODUL,logicals indicating the structure type
MAGCEN logical true if magnetic structure is centric
Declared by
-
DFLTMG to use
HELI AMOD
DOMAG to use
MTYP FERO FERA HELI AMOD ANTI MODUL
DOMAG1 to use
MTYP FERO FERA HELI AMOD ANTI MODUL
DOMAG2 to use
MTYP HELI
FCHALC to use
FMCALC to use
MSTAB OTRSYM FERO HELI MODUL
FMMPCA to use
MSTAB OTRSYM FERO HELI MODUL
LMCALC to use
MSTAB OTRSYM FERO FERA HELI MODUL
LMMPCA to use
MSTAB OTRSYM FERO FERA HELI MODUL
LOGMAG to use
MTYP FERO FERA HELI AMOD ANTI MODUL
MAGCNC to use
FERO FERA HELI
MAGCNL to use
FERO FERA HELI MODUL
MAGCON to use
MTSYM MSTAB OTRSYM HELI MODUL
MAGDOM to use
MSTAB FERO
MAGSYM to use
MTSYM MSTAB OTRSYM NDOM FERO FERA
MTPROD to use
MTSYM
OPMSYM to use
MSTAB OTRSYM
PROPER to use
PSICON to use
MSTAB
CALQSF to use
NDOM
MAG3D to use
OTRSYM MTYP MODUL
MAGLSQ to use
MTYP HELI
MG3DGL to use
OTRSYM MTYP MODUL
MMPLSQ to use
MTYP
MVENTR to use
OTRSYM MTYP MODUL
PALSQ to use
NMSYM MTYP NDOM HELI
Symbolic parameters used
-
SY+1 set to 49 dimensioning MTSYM MSTAB OTRSYM
Common Block SYMREP
Specification
COMMON /SYMREP /REP(9,49),AKVEC(3),LREP(49),NREP,IVEC,ANORM,NOPS,
&NOPP,NCSTAR,TREP(49,2,2)
COMPLEX REP,TREP
Description
-
Symmetry representations
Symbolic parameters used
-
SY+1 set to 49 dimensioning REP LREP TREP
Common Block SYMTAB
Specification
COMMON /SYMTAB/MULTAB(48,48),INVERS(48),NORD(48),IGEN(3),KOM22
Description
-
Symmetry tables for the space group
MULTAB the multiplication tables
INVERS tables of inverse elements
NORDorder of each element
IGEN(3) list of generating elements
Declared by
-
ADDELM to use
MULTAB
ATOPOS to use
NORD
DOCHI1 to use
NORD
FACGRP to use
MULTAB
FCHALC to use
FMCALC to use
MULTAB
FMMPCA to use
MULTAB
GENELM to use
MULTAB
GENGRP to use
MULTAB
LMCALC to use
MULTAB
LMMPCA to use
MULTAB
MAGCON to use
MAGDOM to use
NORD
MAGSYM to use
MULTAB INVERS NORD
MAKGRP to use
MULTAB NORD
MPCON to use
INVERS NORD
NORDER to use
MULTAB
OPSYM to use
INVERS
POLUNI to use
NORD
PROPAG to use
NORD
ROTOSM to use
INVERS
ROTSYM to use
INVERS
SUBSYM to use
MULTAB INVERS NORD IGEN
SYMBAK to use
MULTAB INVERS NORD IGEN
SYMGEN to use
IGEN
SYMREF to use
INVERS
SYMTID to use
MULTAB INVERS NORD IGEN
SYMUNI to use
INVERS NORD
ARRINC to use
MULTAB INVERS
LCHALC to use
Symbolic parameters used
-
SYMO set to 48 dimensioning MULTAB MULTAB INVERS NORD
P. Jane Brown
e-mail: brown@ill.fr
Institut Laue Langevin,
Grenoble, FRANCE