/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/choles/ |
H A D | cc_choio.F | 863 INTEGER IADR, ICOL, LROW 875 IADR = LROW*ICOL + 1 926 INTEGER IADR, ICOL, LROW 938 IADR = LROW*ICOL + 1 995 INTEGER IADR, ICOL, LROW 1040 & IADR,LEN) 1043 & IADR,LEN) 1046 & IADR,LEN) 1049 & IADR,LEN) 1052 & IADR,LEN) [all …]
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H A D | cc_cholesky.F | 2836 IADR = 1 2839 IADR = IADR + MDIM 3338 JFINIS = IADR + LENGTH - 1 3340 IROOM = MAXLEN - IADR + 1 3408 IADR = 1 3505 IADR = 1 3718 JFINIS = IADR + LENTOT - 1 3746 IADR = 1 3784 IADR = 1 3822 JFINIS = IADR + LENTOT [all …]
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/cc/ |
H A D | ccfbtaao2.F | 107 INTEGER KPAIN0, KQAIN0, KPAIN1, KQAIN1, IADR 313 IADR = IADRPQ0(IDEL) 314 CALL GETWA2(LUPQ0,FILPQ0,WORK(KPINT0),IADR,LEN00) 315 IADR = IADRPQ0(IDEL) + LEN00 316 CALL GETWA2(LUPQ0,FILPQ0,WORK(KQINT0),IADR,LEN00) 318 IADR = IADRPQ1(IDEL) 320 IADR = IADRPQ1(IDEL) + LEN01 323 IADR = IADRPQA0(IDEL) 325 IADR = IADRPQA0(IDEL) + LENA0 328 IADR = IADRPQA1(IDEL) [all …]
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H A D | ccsd_sortao.F | 305 IADR = KAOG(IR,ISYDIS) + KAOAB(IP,IQ) 306 XINT(IADR,IS-IOFF) = VALUE 309 IADR = KAOG(IS,ISYDIS) + KAOAB(IP,IQ) 310 XINT(IADR,IR-IOFF) = VALUE 313 IADR = KAOG(IQ,ISYDIS) + KAOAB(IR,IS) 314 XINT(IADR,IP-IOFF) = VALUE 318 XINT(IADR,IQ-IOFF) = VALUE 346 XINT(IADR,IS-IOFF) = VALUE 350 XINT(IADR,IR-IOFF) = VALUE 354 XINT(IADR,IP-IOFF) = VALUE [all …]
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H A D | crayio2.F | 28 INTEGER LUNIT, IADR, ILEN, IERR, BLOCKSIZE, STATUS, IUN 86 SUBROUTINE PUTWA2(LUNIT,FILE,DATA,IADR,LEN) argument 91 INTEGER LUNIT, IADR, LEN, IERR 105 JADR = IADR 128 WRITE (LUPRI,*) 'IADR:', IADR 146 SUBROUTINE GETWA2(LUNIT,FILE,DATA,IADR,LEN) argument 151 INTEGER LUNIT, IADR, LEN, IERR 167 JADR = IADR 190 WRITE (LUPRI,*) 'IADR:', IADR
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H A D | cc_bfif1.F | 23 & LUBFI,FNBFI,IADRBF,IADR,IDEL,WORK,LWORK) 49 INTEGER IADR, IDEL, LUBFI, IADRBF(*) 124 IADRBF(IDEL) = IADR 136 CALL PUTWA2(LUBFI,FNBFI,WORK,IADR,ND2IJG(ISYMIJB)) 138 IADR = IADR + ND2IJG(ISYMIJB)
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H A D | cc_pqi.F | 21 & FILNAM,LUPQIM,IADRPQ,IADR,IV,WORK,LWORK) argument 66 INTEGER IV, IADR, IADRQ local 171 IADRPQ(IDEL,IV) = IADR 174 CALL PUTWA2(LUPQIM,FILNAM,WORK(KPINT),IADR,NT2BCD(ISYAIK)) 177 IADR = IADR + 2*NT2BCD(ISYAIK) 291 & FILNAM,LUPQIM,IADRPQ,IADR,IV, argument 324 INTEGER, INTENT(INOUT) :: IADRPQ(MXCORB_CC,IV), IADR local 416 IADRPQ(IDEL,IV) = IADR 417 IADR = IADR + NCAL*NT2BCD(ISYAIK)
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H A D | cc_rdaod.F | 472 IADR = IOFFRD(IR,ID) + IADRPQ(IP,IQ) 482 XINT(IADR) = SIGN*RBUF(I) 493 IADR = IOFFRD(IR,ID) + IADRPQ(IP,IQ) 494 XINT(IADR) = SIGN*RBUF(I) 544 IADR = IOFFRD(IR,ID) + IADRPQ(IQ,IP) 554 XINT(IADR) = SIGN*RBUF(I) 565 IADR = IOFFRD(IR,ID) + IADRPQ(IQ,IP) 566 XINT(IADR) = SIGN*RBUF(I) 579 IADR = IOFFRD(IR,ID) + IADRPQ(IQ,IP) 581 & ' ## ', IP, IQ , IR, IDEL(ID), XINT(IADR), IADR
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H A D | ccder1.F | 450 IADR = KAOGDER(IR,ISYMD,ICORSY,ICOOR) + KAOAB(IP,IQ) 451 XINT(IADR,IS-IOFF) = SIGN * RBUF(I) 456 IADR = KAOGDER(IS,ISYMD,ICORSY,ICOOR) + KAOAB(IQ,IP) 457 XINT(IADR,IR-IOFF) = RBUF(I) 462 IADR = KAOGDER(IQ,ISYMD,ICORSY,ICOOR) + KAOAB(IS,IR) 463 XINT(IADR,IP-IOFF) = RBUF(I) 468 IADR = KAOGDER(IP,ISYMD,ICORSY,ICOOR) + KAOAB(IR,IS) 469 XINT(IADR,IQ-IOFF) = SIGN * RBUF(I)
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H A D | cc_soldrv.F | 884 INTEGER LUC1, LUC2, LUC12, IVEC, NT2VAR, NT12VAR, IADR 899 IADR = 1 + NT1AM(ISYMTR) 900 CALL CC_RVEC(LUC2,FC2AM,NT2VAR,NT2VAR,IVEC,VEC(IADR)) 903 IADR = 1 + NT1AM(ISYMTR) + NT2VAR 904 CALL CC_RVEC(LUC12,FC12AM,NT12VAR,NT12VAR,IVEC,VEC(IADR)) 943 INTEGER LUC1, LUC2, LUC12, IVEC, NT2VAR, NT12VAR, IADR 962 IADR = 1 + NT1AM(ISYMTR) 963 CALL CC_WVEC(LUC2,FC2AM,NT2VAR,NT2VAR,IVEC,VEC(IADR)) 966 IADR = 1 + NT1AM(ISYMTR) + NT2VAR 967 CALL CC_WVEC(LUC12,FC12AM,NT12VAR,NT12VAR,IVEC,VEC(IADR))
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/abacus/ |
H A D | hergam.F | 124 IADR = 1 127 TABFJW(IADR) = D1/DENOM 128 IADR = IADR + 121 134 IADR = IADR - 121 140 IADR = IADR + 1 152 TABFJW(IADR) = REXPW*SUM 154 JADR = IADR
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H A D | hertst.F | 989 DIFRS = RESVEC(IADR,I2) 990 & - TSTVEC(IADR,I2) 993 DIFVEC(IADR,I2) = DIFRS 1189 IADR(NN) = IADR(NN) + NROW2 + NN2-1 1674 TSTVEC(IADR,INTNUM) = 1676 DIFRS = RESVEC(IADR,INTNUM) 1677 & - TSTVEC(IADR,INTNUM) 1680 DIFVEC(IADR,INTNUM) = DIFRS 1916 DIFRS = RESVEC(IADR,ICOMP) 1917 & - TSTVEC(IADR,ICOMP) [all …]
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H A D | abaflt.F | 440 IADR = ISTR - 1 + I 441 NAME = NAMEX(IADR) 442 IF (IADR .EQ. IOFFNM + 1) NAME = ' EX ' 443 IF (IADR .EQ. IOFFNM + 2) NAME = ' EY ' 444 IF (IADR .EQ. IOFFNM + 3) NAME = ' EZ ' 479 IADR = NIND - 3 + I 488 POLCOR = POLCOR + GID(IADR,K)*GDI(K,JADR) 496 PCNT(IJ,K) = GID(IADR,K)*GDI(K,JADR)/POLCOR
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H A D | her2sym.F | 258 IADR = 1 276 CALL SYM2(SOINT(IADR),WORK(1,1),IPNTAO(1,IREPX), 279 CALL SYM2(SOINT(IADR+NOABCD*NINTX),WORK(1,2), 283 IADR = IADR + 2*NOABCD*NINTX
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H A D | ptrbuf.h | 6 INTEGER LASTAD, IADR 10 & LASTAD(MAXADR), IADR(MAXADR),
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H A D | her1pro.F | 2582 IADR = KSOINT 2588 IADR = IADR + NELMNT 2682 IADR = KSOINT 2706 IADR = IADR + NELMNT 2711 IADR = KSOINT 2784 IADR = IADR + NELMNT 2911 IADR = KSOINT 2922 CALL DCOPY(NELMNT,WORK(IADR),1, 2925 IADR = IADR + NELMNT 2928 IADR = KSOINT [all …]
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/eri/ |
H A D | eri2out.F | 662 IADR = IADR + 1 683 IADR = IADR + 1 834 IADR = IADR + 1 855 IADR = IADR + 1 1082 IADR = IADR + 1 1372 IADR = IADR + NCCS 2006 IADR = 0 2017 IADR = IADR + 1 2031 IADR = IADR + 1 2044 IADR = 0 [all …]
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H A D | eri2csi.F | 123 IADR = 0 133 IADR = IADR + 1 134 INDORB(IADR,1) = (INDXBT(NA + I,A)-1)*IBITA 136 INDORB(IADR,2) = (INDXBT(NC + K,C)-1)*IBITC 294 IADR = 0 304 IADR = IADR + 1 305 INDORB(IADR,1) = (INDXBT(NA + I,A)-1)*IBITA 307 INDORB(IADR,2) = (INDXBT(NC + K,C)-1)*IBITC
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H A D | erisph.F | 91 IADR = ISTART + KSQADR(L,X,Y,Z,C) 95 CALL OUTPUT(WORK(IADR),1,NS,1,NC,NS,NC,1,LUPRI) 197 IADR = IOFF + NSPHAD(L,TOT-L,NDER) + 200 CSQ(IADR,1) = CSQ(IADR,1) + FACTOR 210 & TOT,NCRT(X,Y,Z),IADR 225 CSQ(IADR,IA) = CSQ(IADR,IA) + BFAC 233 & TOT,NCRT(X,Y,Z),IADR
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/ |
H A D | dft_aos.F | 116 CALL GETGA1(GAO(IADR),GAO1(IADR,1),GAO1(IADR,2), 120 CALL GETGA2(GAO2(IADR,1),GAO2(IADR,2),GAO2(IADR,3), 121 & GAO2(IADR,4),GAO2(IADR,5),GAO2(IADR,6), 127 CALL GETGB1(GAO(IADR),GAB1(IADR,1),GAB1(IADR,2), 139 IADR = IADR + KHKTA 742 & GAO(1,IADR,5),GAO(1,IADR,6),GAO(1,IADR,7), 743 & GAO(1,IADR,8),GAO(1,IADR,9),GAO(1,IADR,10), 747 & GAO(1,IADR,11),GAO(1,IADR,12),GAO(1,IADR,13), 748 & GAO(1,IADR,14),GAO(1,IADR,15),GAO(1,IADR,16), 749 & GAO(1,IADR,17),GAO(1,IADR,18),GAO(1,IADR,19), [all …]
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H A D | dft_dftd.F | 1347 CALL LIMIT(IAT,JAT,IADR,JADR) 1348 MXCi(IAT)=MAX(MXCi(IAT),IADR) 1351 C6AB(IAT,JAT,IADR,JADR,1)=PARS(KK) 1352 C6AB(IAT,JAT,IADR,JADR,2)=PARS(KK+3) 1353 C6AB(IAT,JAT,IADR,JADR,3)=PARS(KK+4) 1355 C6AB(JAT,IAT,JADR,IADR,1)=PARS(KK) 1356 C6AB(JAT,IAT,JADR,IADR,2)=PARS(KK+4) 1364 SUBROUTINE LIMIT(IAT,JAT,IADR,JADR) argument 1366 INTEGER IAT,JAT,IADR,JADR,I local 1367 IADR=1 [all …]
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/densfit/ |
H A D | denfit_noddy.F | 341 IADR = (IBETA + NPBAS*(IALPHA-1)) 343 CALL PUTWA2(LUAB,FNAB,XINT,IADR,LENGTH) 607 CALL PUTWA2(LUABAL,FNABAL,XINT,IADR,LENGTH) 912 IADR = (ID + NPBAS*(IC-1)+NPBAS*NPBAS*(IB-1) 915 CALL PUTWA2(LUABCD,FNABCD,XINT,IADR,LENGTH) 1336 IADR = (IALPHA+NAUX*(IB-1)+NAUX*N*(IA-1)) 1337 CALL GETWA2(LUABAL,FNABAL,XINT3,IADR,LENGTH) 1405 IADR = (IBETA+NAUX*(IALPHA-1)) 1618 IADR = (ID+N*(IC-1)+N*N*(IB-1)+N*N*N*(IA-1)) 1619 CALL GETWA2(LUABCD,FNABCD,XINT4,IADR,LENGTH) [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/lucia/ |
H A D | luciaw.F | 2 & (MINAC,MAXAC,MINMAX_ORB,ISM,ISPC,IADR,NELMNT,ICNF) 29 INTEGER IADR(*), ICNF(*) 97 & IADR,NELMNT,MINAC,MAXAC,MINMAX_ORB,int_mb(KNSTSO(IATP)), 108 CALL GET_MINMAX_ADR_IN_CISPACE_CSF(IADR,NELMNT,MINAC,MAXAC, 121 & IADR,NDET_UT,MINAC,MAXAC,MINMAX_ORB,NSSOA,NSSOB, 149 DIMENSION IADR(*) 224 IADR(IDET_UT) = IDET_IN 239 CALL IWRTMA(IADR,1,NDET_UT,1,NET_UT) 1135 INTEGER IADR(*) 1211 IADR(ISEL) = ICSF [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/lucia/ |
H A D | luciaw.F | 2 & (MINAC,MAXAC,MINMAX_ORB,ISM,ISPC,IADR,NELMNT,ICNF) 29 INTEGER IADR(*), ICNF(*) 97 & IADR,NELMNT,MINAC,MAXAC,MINMAX_ORB,int_mb(KNSTSO(IATP)), 108 CALL GET_MINMAX_ADR_IN_CISPACE_CSF(IADR,NELMNT,MINAC,MAXAC, 121 & IADR,NDET_UT,MINAC,MAXAC,MINMAX_ORB,NSSOA,NSSOB, 149 DIMENSION IADR(*) 224 IADR(IDET_UT) = IDET_IN 239 CALL IWRTMA(IADR,1,NDET_UT,1,NET_UT) 1135 INTEGER IADR(*) 1211 IADR(ISEL) = ICSF [all …]
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/sirius/ |
H A D | intsort.F | 713 IADR =0 714 CALL DAWRITE(LUORD,IDATA,18,IADR) 715 CALL DAWRITE(LUORD,IADUT,2*LIADUT,IADR) 804 IADUT(IOUTCH) = IADR 854 CALL DAWRITE(LUORD,X(IST),LBUF2,IADR) 878 IADR=0 879 CALL DAWRITE(LUORD,IDATA,18,IADR) 880 CALL DAWRITE(LUORD,IADUT,2*LIADUT,IADR)
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