C=============== C C vectangl.fcm C C by Jens Meiler / Michael Nilges Jan 1999 C=============== INTEGER MAXVEANCLASSES PARAMETER (MAXVEANCLASSES = 10) C C arrays that hold vectorangle info C vectassndx tells ending index of the vect_x arrays (below) C for each class. C vectforces holds k1 and k2 for each class C vectclasstypes holds the type of each class C C these are small enough not to bother with the heap. C INTEGER VEANASSNDX (MAXVEANCLASSES) DOUBLE PRECISION VEANFORCES(2,MAXVEANCLASSES) CHARACTER*8 VEANCLASSNAMES (MAXVEANCLASSES) LOGICAL PRINTCLASS(MAXVEANCLASSES) C C maxvects = number of slots set aside for vectorangle constant C assignments C nvects = total number of vectorangle constants entered C INTEGER MAXVEANS, NVEANS, NCLASSES, CURCLASS C C pointers to arrays to hold atom numbers, J-obs, and C error for each vectorangle assignment C INTEGER VEANIPTR, VEANJPTR, VEANKPTR, VEANLPTR, & VEANVOBSPTR, VEANVERRPTR, CALCVEANPTR C C cross-validation C by Jens Meiler / Michael Nilges Jan 1999 C C cross-validation array INTEGER VEANCV C C cross-validation test number INTEGER VICV C C input modes C INTEGER MODE, NEW, UPDATE PARAMETER (NEW = 1) PARAMETER (UPDATE = 2) 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 C common blocks C COMMON /CVEAN/ VEANCLASSNAMES COMMON /IVEAN/ VEANASSNDX, & MAXVEANS, NVEANS, CURCLASS, NCLASSES, & VEANIPTR, VEANJPTR, VEANKPTR, VEANLPTR, & VEANVOBSPTR, VEANVERRPTR, CALCVEANPTR, MODE, & VICV, VEANCV COMMON /RVEAN/ VEANFORCES COMMON /LVEAN/ PRINTCLASS SAVE /CVEAN/ SAVE /IVEAN/ SAVE /RVEAN/ SAVE /LVEAN/