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Searched defs:FMAT (Results 1 – 25 of 27) sorted by relevance

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/dports/biology/mopac/mopac7-1.15/fortran/
H A Dfmat.f5 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 …]
H A Dframe.f1 SUBROUTINE FRAME(FMAT,NUMAT,MODE,SHIFT) argument
H A Dderi1.f2 1 ,F,MINEAR,FD,WMAT,HMAT,FMAT) argument
/dports/math/slatec/src/
H A Dfmat.f2 SUBROUTINE FMAT (X, Y, YP) subroutine
21 10 YP(2) = -TERM*Y(2)-0.7*Y(1)
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/densfit/
H A Ddf_dirac.F18 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
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/abacus/
H A Dherfckcon.F20 SUBROUTINE FCKCON(FMAT,DMAT,I,AOINT,IND, argument
225 SUBROUTINE DF_FCKCON(FMAT,DMAT,DF_FMAT,DF_DMAT,NDMAT,I,AOINT,IND, argument
H A Dherpar.F24 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
H A Dherdirect.F45 SUBROUTINE TSTDIR(FMAT,DMAT,NDMAT,WORK,LWORK,IPRINT) argument
H A Dher2fck.F40 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
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/sirius/
H A Dsirstex.F1231 SUBROUTINE STXFCKDSX(FMAT,DMAT,BUF,IBUF,LENGTH) argument
1292 SUBROUTINE FCKDSJ(FMAT,DMAT,BUF,IBUF,LENGTH) argument
H A Dsirfck.F24 SUBROUTINE SIRFCK(FMAT,DMAT,NDMAT,ISYMDM,IFCTYP,AO_DIRECT, argument
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/eri/
H A Deri2par.F23 SUBROUTINE ERI_PARDRV(FMAT,DMAT,NDMAT,ISYMDM,IFCTYP,NSTAT, argument
560 SUBROUTINE ERI_RVRES(FMAT,TMPMAT,MXCLS2,TIMES,IWHICH,CLSCPU, argument
H A Deri2pro.F20 SUBROUTINE ERIPRO(FMAT,DMAT,NDMT,ISYMDM,IFCTYP,DOGDER,DOBDER, argument
H A Deri2fck.F20 SUBROUTINE ERIFCK(FMAT,DMAT,NDMT,ISYMDM,IFCTYP,IPRFCK, argument
/dports/math/cmlib/cmlib-3.0_8/test/
H A Dbvsup.f294 SUBROUTINE FMAT(X,Y,YP) subroutine
296 COMMON /SAVEX/XSAVE,TERM
302 10 YP(2) = -TERM*Y(2)-0.7*Y(1)
/dports/audio/praat/praat-6.2.03/external/gsl/
H A Dgsl_poly__zsolve.c34 #define FMAT(m,i,j,n) ((m)[((i)-1)*(n) + ((j)-1)]) macro
/dports/math/gsl/gsl-2.7/poly/
H A Dzsolve.c34 #define FMAT(m,i,j,n) ((m)[((i)-1)*(n) + ((j)-1)]) macro
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/
H A Ddft_aux.F262 SUBROUTINE LRAO2MO(CMO,KSYMOP,FAOMAT,FMAT,WORK,LWORK) argument
H A Ddft_ksm.F568 SUBROUTINE KSMCOLLECT(FMAT,ENERGY,WRK,LFREE) argument
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/cc/
H A Dcc_gmat.F1993 SUBROUTINE CCG_1ITROO(TFMAT,ISYMTF,FMAT,ISYMFM,T1,ISYMT1) argument
2179 SUBROUTINE CCG_1ITRVV(TFMAT,ISYMTF,FMAT,ISYMFM,T1,ISYMT1) argument
H A Dcc_lanczos_lrextras.F903 SUBROUTINE CC_build_Rfull(LUMAT,FMAT, argument
923 CHARACTER FMAT*(*) local
1186 SUBROUTINE CC_build_Rfull2(LUMAT,FMAT, argument
1206 CHARACTER FMAT*(*) local
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/qmcmm/
H A Dherqmnp.F90467 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
H A Dfock.F9012 SUBROUTINE QMNPMM_FOCK(DCAO,DVAO,RCPMAT,RMMMAT,FMAT,EQMNP,WORK, & argument
37 real(8) :: DCAO(*), DVAO(*), RCPMAT(*), RMMMAT(*), FMAT(*), & local
/dports/science/chemps2/CheMPS2-1.8.10/CheMPS2/
H A DCASSCFnewtonraphson.cpp381 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
/dports/emulators/simh/simh-3.9.0_5/Ibm1130/utils/
H A Ddiskview.c300 #define FMAT 70 // FORMAT OF PROG IN WORKING STG macro

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