1 ! FILE : ccdeco.h 2 ! 3 ! Info for Cholesky decomposition 4 ! 5 INTEGER MXCHVC, LRDTOT, LREDU, NREDUC, ISYSCR, INAOSH, NUMCHO, 6 & LENCHO, IDNTCH, NDIAG, IDIAG, MAXDIA, MAXDI1, 7 & CHOVER, IPRCHO 8 REAL*8 DIASCR, THRCOM, THRDEF, THINDI, THSUDI, SPAN 9 10 PARAMETER (MXCHVC = 80 000) 11 C 12 LOGICAL CHOINT,COMP,RSTDIA,RSTCHO,SCDIAG,REDUCE,DIACAL, 13 & NEWSCF,CHOEXC,CHEXDI,DV4DIS 14 C 15 COMMON /CHOINT/ DIASCR(MXSHEL,MXSHEL), 16 & THRCOM, THRDEF, THINDI, THSUDI, SPAN, 17 & CHOVER, IPRCHO, 18 & LRDTOT,LREDU,NREDUC(8), 19 & ISYSCR(MXSHEL,MXSHEL),INAOSH(MXCORB), 20 & NUMCHO(8), LENCHO(MXCHVC,8),IDNTCH(MXCHVC,8), 21 & NDIAG,IDIAG(8),MAXDIA,MAXDI1, 22 & CHOINT,COMP,RSTDIA,RSTCHO,SCDIAG,REDUCE,DIACAL, 23 & NEWSCF,CHOEXC,CHEXDI,DV4DIS 24 25 #ifdef NOT_USED 26 ! hjaaj Sep 2013: these are not used, but IALBET uses a lot of static memory 27 ! IF used in the future, PLEASE do not put IALBET in a common block. 28 INTEGER NUMCEN, IATPRI, IALBET 29 COMMON /CHOINT_1/ 30 & NUMCEN, IATPRI(MXCORB), 31 & IALBET(MXCORB*(MXCORB+1)/2,2) 32 #endif 33 C 34 C Old common with some stuff to have several files. 35 C 36 C COMMON /CHOINT/ DIASCR(MXSHEL,MXSHEL), 37 C * THRCOM,THRDEF,THINDI,THSUDI,SPAN, 38 C * ISYSCR(MXSHEL,MXSHEL), 39 C * NUMCHO(8),IADRTO(8),IDNTLU(0:9,1:8), 40 C * INDCHO(MXCHVC,8),LENCHO(MXCHVC,8), 41 C * IDNTCH(MXCHVC,8),ISTRFI(0:9,1:8), 42 C * IDIAG(8),IIBST(8), 43 C * NDIAG,INAOSH(MXCORB), 44 C * MAXDIA,MAXDI1,NUMFIL(8), 45 C * IATPRI(MXCORB),NUMCEN, 46 C * IALBET(MXCORB*(MXCORB+1)/2,2), 47 C * CHOINT,COMP,RSTDIA,RSTCHO,SCDIAG 48 C 49 ! -- end of ccdeco.h -- 50