/dports/biology/mopac/mopac7-1.15/fortran/ |
H A D | fmat.f | 5 DIMENSION FMATRX(*), DELDIP(3,*) argument 24 COMMON /GEOKST/ NATOMS,LABELS(NUMATM), 25 1 NA(NUMATM),NB(NUMATM),NC(NUMATM) 26 COMMON /GEOVAR/ NVAR,LOC(2,MAXPAR),IDUMY, DUMY(MAXPAR) 27 COMMON /DENSTY/ P(MPACK),PDUMY(2,MPACK) 28 COMMON /TIMDMP/ TLEFT, TDUMP 35 COMMON /MOLKST/ NUMAT,NAT(NUMATM),NFIRST(NUMATM),NMIDLE(NUMATM), 36 1 NLAST(NUMATM), NORBS, NELECS,NALPHA,NBETA, 37 2 NCLOSE,NOPEN,NDUMY,FRACT 46 LOGICAL DEBUG, RESTRT, PRNT, RESFIL, PRECIS, BIG, LOG, GROUP [all …]
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H A D | frame.f | 1 SUBROUTINE FRAME(FMAT,NUMAT,MODE,SHIFT) argument
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H A D | deri1.f | 2 1 ,F,MINEAR,FD,WMAT,HMAT,FMAT) argument
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/dports/math/slatec/src/ |
H A D | fmat.f | 2 SUBROUTINE FMAT (X, Y, YP) subroutine 21 10 YP(2) = -TERM*Y(2)-0.7*Y(1)
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/densfit/ |
H A D | df_dirac.F | 18 SUBROUTINE DENS_FIT (FMAT,DMAT,NDMT,ISYMDM,IFCTYP,IPRFCK, argument 303 SUBROUTINE ERI_MKINTS (FMAT,DMAT,NDMT,ISYMDM,IFCTYP,IFIT_DMAT, argument 476 SUBROUTINE DRIVE_FIT (FMAT,DMAT,WMAT,WVEC,NDMT,ISYMDM, argument
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/abacus/ |
H A D | herfckcon.F | 20 SUBROUTINE FCKCON(FMAT,DMAT,I,AOINT,IND, argument 225 SUBROUTINE DF_FCKCON(FMAT,DMAT,DF_FMAT,DF_DMAT,NDMAT,I,AOINT,IND, argument
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H A D | herpar.F | 24 SUBROUTINE HER_PARDRV(FMAT,DMAT,HESSEE,NDMAT,ISYMDM,IFCTYP,NSTAT, argument 1909 SUBROUTINE PARLOP(WORK,LWORK,HESSEE,FMAT,DMAT,NDMAT,GMAT, argument 2443 SUBROUTINE HER_SDRES(FMAT,HESSEE,NDMAT,DINTSKP,TSKCPU,IWHICH, argument
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H A D | herdirect.F | 45 SUBROUTINE TSTDIR(FMAT,DMAT,NDMAT,WORK,LWORK,IPRINT) argument
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H A D | her2fck.F | 40 SUBROUTINE INTFCK(FMAT,AOINT,DMAT,NDMAT,NCCINT,NINTYP, argument 127 SUBROUTINE INTFC1(FMAT,AOINT,AOINT2,DMAT,NDMAT,NCCINT,NINTYP, argument 608 SUBROUTINE SKLFCK(FMAT,HESSEE,WORK,LWORK,IPRINT,DIRFCK,DDFOCK, argument 773 SUBROUTINE SKLFC1(FMAT,SKLTON,FACTOR,INDEX,IPOINT,PTFACT,NINDEX, argument 1284 SUBROUTINE SKLOND(FMAT,SKLTON,FACTOR,INDEX,IPOINT,NDMAT, argument
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/sirius/ |
H A D | sirstex.F | 1231 SUBROUTINE STXFCKDSX(FMAT,DMAT,BUF,IBUF,LENGTH) argument 1292 SUBROUTINE FCKDSJ(FMAT,DMAT,BUF,IBUF,LENGTH) argument
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H A D | sirfck.F | 24 SUBROUTINE SIRFCK(FMAT,DMAT,NDMAT,ISYMDM,IFCTYP,AO_DIRECT, argument
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/eri/ |
H A D | eri2par.F | 23 SUBROUTINE ERI_PARDRV(FMAT,DMAT,NDMAT,ISYMDM,IFCTYP,NSTAT, argument 560 SUBROUTINE ERI_RVRES(FMAT,TMPMAT,MXCLS2,TIMES,IWHICH,CLSCPU, argument
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H A D | eri2pro.F | 20 SUBROUTINE ERIPRO(FMAT,DMAT,NDMT,ISYMDM,IFCTYP,DOGDER,DOBDER, argument
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H A D | eri2fck.F | 20 SUBROUTINE ERIFCK(FMAT,DMAT,NDMT,ISYMDM,IFCTYP,IPRFCK, argument
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/dports/math/cmlib/cmlib-3.0_8/test/ |
H A D | bvsup.f | 294 SUBROUTINE FMAT(X,Y,YP) subroutine 296 COMMON /SAVEX/XSAVE,TERM 302 10 YP(2) = -TERM*Y(2)-0.7*Y(1)
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/dports/audio/praat/praat-6.2.03/external/gsl/ |
H A D | gsl_poly__zsolve.c | 34 #define FMAT(m,i,j,n) ((m)[((i)-1)*(n) + ((j)-1)]) macro
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/dports/math/gsl/gsl-2.7/poly/ |
H A D | zsolve.c | 34 #define FMAT(m,i,j,n) ((m)[((i)-1)*(n) + ((j)-1)]) macro
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/ |
H A D | dft_aux.F | 262 SUBROUTINE LRAO2MO(CMO,KSYMOP,FAOMAT,FMAT,WORK,LWORK) argument
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H A D | dft_ksm.F | 568 SUBROUTINE KSMCOLLECT(FMAT,ENERGY,WRK,LFREE) argument
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/cc/ |
H A D | cc_gmat.F | 1993 SUBROUTINE CCG_1ITROO(TFMAT,ISYMTF,FMAT,ISYMFM,T1,ISYMT1) argument 2179 SUBROUTINE CCG_1ITRVV(TFMAT,ISYMTF,FMAT,ISYMFM,T1,ISYMT1) argument
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H A D | cc_lanczos_lrextras.F | 903 SUBROUTINE CC_build_Rfull(LUMAT,FMAT, argument 923 CHARACTER FMAT*(*) local 1186 SUBROUTINE CC_build_Rfull2(LUMAT,FMAT, argument 1206 CHARACTER FMAT*(*) local
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/qmcmm/ |
H A D | herqmnp.F90 | 467 SUBROUTINE COMP_RELMAT(FMAT,WORK,LWORK) argument 548 SUBROUTINE COMP_MMRELMAT(FMAT,WORK,LWORK) argument 570 real(8) :: FMAT(*), WORK(LWORK) local 975 SUBROUTINE WRITE_RELMAT(FMAT) argument 1006 SUBROUTINE READ_RELMAT(FMAT) argument
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H A D | fock.F90 | 12 SUBROUTINE QMNPMM_FOCK(DCAO,DVAO,RCPMAT,RMMMAT,FMAT,EQMNP,WORK, & argument 37 real(8) :: DCAO(*), DVAO(*), RCPMAT(*), RMMMAT(*), FMAT(*), & local
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/dports/science/chemps2/CheMPS2-1.8.10/CheMPS2/ |
H A D | CASSCFnewtonraphson.cpp | 381 double * FMAT = Fmatrix->getBlock( irrep ); in construct_gradient() local 441 double * FMAT = Fmatrix->getBlock( irrep ); in diag_hessian() local 488 double * FMAT = Fmatrix->getBlock( irrep ); in add_hessian() local
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/dports/emulators/simh/simh-3.9.0_5/Ibm1130/utils/ |
H A D | diskview.c | 300 #define FMAT 70 // FORMAT OF PROG IN WORKING STG macro
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