1 C
2 C     FILE: cbiher.h
3 C
4 C     Purpose: define control variables for Hermit
5 C
6       REAL*8  EXPKR,  THRESH
7       INTEGER IPRDEF, IORCAR, IORSPH, NPQUAD, NPATOM, IPATOM
8       LOGICAL SKIP,   TSTINP,
9      &        HAMILT, SUPMAT, SPNORB, DAR2EL, ORBORB,
10      &        ONEPRP, PROPRI, ALLATM, TRIANG, NOTWO,  NO2SO,  SOTEST,
11      &        DIRAC_HER,      TEST_GEN1INT,   TWOBYTEPACKING
12 
13 C     Selection of specific one-electron (property) integrals:
14       LOGICAL KINENE, KINADI, NUCPOT,
15      &        DIPLEN, DIPVEL, QUADRU, THETA,  SECMOM, THRMOM,
16      &        CARMOM, SPHMOM,
17      &        FERMI,  PSO, SPIDIP, DSO, NMRISS, SDFC, HDO,
18      &        S1MAG,  S2MAG,  ANGMOM, ANGLON, LONMOM, MAGMOM,
19      &        S1MAGT, MGMOMT, S2MAGT, DSUSNL, DSUSLL, DSUSLH,
20      &        DIASUS, DSUTST, NUCSNL, NUCSLO, NUCSHI, NSNLTS, NSLTST,
21      &        NELFLD, NSTTST, EFGCAR, EFGSPH, S1MAGL, S1MAGR,
22      &        HDOBR,  S1MLT,  S1MRT,  HDOBRT, NPOTST,MGMO2T,HBDO,SUSCGO,
23      &        NSTCGO, EXPIKR, DARWIN, MASSVL, CM1,    CM2,
24      &        SQHDOL, SQHDOR, SQHD2O, S1ELE,  S1ELB,  ONEELD,
25      &        DERHAM, DEROVL, SOMM,   SOFLD,  ROTSTR, OCTGRA,
26      &        QUAGRA, DPLGRA, ELGDIL, ELGDIA, MNF_SO, DPTOVL, DPTPOT,
27      &        XDDXR3, PVIOLA, PVPINT, POTENE, QDBINT, QDBTST,
28      &        RANGMO, RPSO, PXPINT, OZKE, PSOKE, DNSKE, SDKE, FCKE,
29      &        DSOKE,  PSOOZ,  EFBDER, EFB2DR, MAGQDP, MQDPTS,
30      &        DERAM,  DIPANH, RMAOTWO,LFDIPLN,
31      &        S2MBRA, S2MKET, S2MMIX, DOLRINTS
32 C
33       COMMON /CBIHER/ EXPKR(3), THRESH,                                         ! real*8
34      &        IPRDEF, IORCAR, IORSPH, NPQUAD, NPATOM, IPATOM(MXCENT),           ! integer
35      &        SKIP,   TSTINP,                                                   ! logical control variables
36      &        HAMILT, SUPMAT, SPNORB, DAR2EL, ORBORB,
37      &        ONEPRP, PROPRI, ALLATM, TRIANG, NOTWO,  NO2SO,  SOTEST,
38      &        DIRAC_HER,      TEST_GEN1INT,   TWOBYTEPACKING,
39      &        KINENE, KINADI, NUCPOT,                                           ! logicals for specific one-electron integrals
40      &        DIPLEN, DIPVEL, QUADRU, THETA,  SECMOM, THRMOM,
41      &        CARMOM, SPHMOM,
42      &        FERMI,  PSO, SPIDIP, DSO, NMRISS, SDFC, HDO,
43      &        S1MAG,  S2MAG,  ANGMOM, ANGLON, LONMOM, MAGMOM,
44      &        S1MAGT, MGMOMT, S2MAGT, DSUSNL, DSUSLL, DSUSLH,
45      &        DIASUS, DSUTST, NUCSNL, NUCSLO, NUCSHI, NSNLTS, NSLTST,
46      &        NELFLD, NSTTST, EFGCAR, EFGSPH, S1MAGL, S1MAGR,
47      &        HDOBR,  S1MLT,  S1MRT,  HDOBRT, NPOTST,MGMO2T,HBDO,SUSCGO,
48      &        NSTCGO, EXPIKR, DARWIN, MASSVL, CM1,    CM2,
49      &        SQHDOL, SQHDOR, SQHD2O, S1ELE,  S1ELB,  ONEELD,
50      &        DERHAM, DEROVL, SOMM,   SOFLD,  ROTSTR, OCTGRA,
51      &        QUAGRA, DPLGRA, ELGDIL, ELGDIA, MNF_SO, DPTOVL, DPTPOT,
52      &        XDDXR3, PVIOLA, PVPINT, POTENE, QDBINT, QDBTST,
53      &        RANGMO, RPSO, PXPINT, OZKE, PSOKE, DNSKE, SDKE, FCKE,
54      &        DSOKE,  PSOOZ,  EFBDER, EFB2DR, MAGQDP, MQDPTS,
55      &        DERAM,  DIPANH, RMAOTWO,LFDIPLN,
56      &        S2MBRA, S2MKET, S2MMIX, DOLRINTS
57 C --- end of cbiher.h ---
58