C=============== C C Anisotropy.inc C C by John Kuszewski July 1993 C=============== INTEGER MAXSANICLASSES PARAMETER (MAXSANICLASSES = 10) C C arrays that hold anisotropy info C anisassndx tells ending index of the anis_x arrays (below) C for each class. C anisforces holds k1 and anisswitches holds k2 for each class C anisclasstypes holds the type of each class C C these are small enough not to bother with the heap. C INTEGER SANIASSNDX (MAXSANICLASSES), SANISWITCHES(MAXSANICLASSES) REAL SANIFORCES (MAXSANICLASSES), SANICOEF0 (MAXSANICLASSES) REAL SANICOEF1 (MAXSANICLASSES), SANICOEF2 (MAXSANICLASSES) CHARACTER*8 SANICLASSNAMES (MAXSANICLASSES) LOGICAL PRINTCLASS(MAXSANICLASSES) C C maxanis = number of slots set aside for anisotropy assignments C nanis = total number of anisotropy entered C INTEGER MAXSANI, NSANI, NCLASSES, CURCLASS C C pointers to arrays to hold atom numbers, Anis-obs, and C error for each aniostropy assignment C INTEGER SANIIPTR, SANIJPTR, SANIKPTR, SANILPTR, SANIMPTR, & SANINPTR, & SANIOBSPTR, & SANIERRPTR, CALCSANIPTR C C these names are for convenience C INTEGER RELAX, MISC PARAMETER (RELAX = 1) PARAMETER (MISC = 2) C C input modes C INTEGER MODE, NEW, UPDATE PARAMETER (NEW = 1) PARAMETER (UPDATE = 2) C C potential types C INTEGER POTENTIAL, SQUARE, HARMONIC PARAMETER (SQUARE = 1) PARAMETER (HARMONIC = 2) C C parameters as set up in ETOR C C===>parameter MCONST truncates the reciprocals and makes sure C===>we don't devide by zero DOUBLE PRECISION MCONST PARAMETER (MCONST=0.0001D0) C===>parameter EPS determines the absolute value of SIN(PHI) at C===>which we want to switch to the alternative computation for the C===>derivative DOUBLE PRECISION EPS PARAMETER (EPS=0.1D0) C C C common blocks C COMMON /CSANI/ SANICLASSNAMES COMMON /ISANI1/ SANIASSNDX, POTENTIAL, & MAXSANI, NSANI, SANISWITCHES, CURCLASS, NCLASSES COMMON /ISANI2/ SANIIPTR, SANIJPTR, SANIKPTR, SANILPTR, & SANIMPTR, SANINPTR, & SANIOBSPTR, SANIERRPTR, CALCSANIPTR, MODE COMMON /RSANI/ SANIFORCES, SANICOEF0, SANICOEF1, SANICOEF2 COMMON /LSANI/ PRINTCLASS SAVE /CSANI/ SAVE /ISANI1/ SAVE /ISANI2/ SAVE /RSANI/ SAVE /LSANI/