/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/choles/ |
H A D | nocc_util.F | 132 KOFF = IMATIJ(ISYMI,ISYMJ) + 1 155 KOFF = IT1AM(ISYMA,ISYMI) + 1 178 KOFF = IT1AMT(ISYMI,ISYMA) + 1 201 KOFF = IMATAB(ISYMA,ISYMB) + 1 235 KOFF = IAODIS(ISYMA,ISYMB) + 1 260 KOFF = IGLMRH(ISYMAO,ISYMMO) + 1 283 KOFF = IGLMVI(ISYMAO,ISYMMO) + 1 306 KOFF = ICAIJK(ISYMAI,ISYMJK) + 1 389 KOFF = NT1AM(ISYM) + 1 406 KOFF = IGAMMA(ISYMIJ,ISYMKL) + 1 [all …]
|
H A D | cc_decmo.F | 212 KOFF = KLIST + ILIST - 1 213 WORK(KOFF) = WORK(KOFF-1)/10.0D0 218 KOFF = KLIST + ILIST - 1 219 IF (THRDCM .GE. WORK(KOFF)) THEN 623 KOFF = KINT1 + NDIM(ISYM)*(IC-1) 624 CALL DSCAL(NDIM(ISYM),XD,WORK(KOFF),1) 627 KOFF = KINT1 + NDIM(ISYM)*(IC-1) + I - 1 628 IF (WORK(KDIAG+I-1) .EQ. ZERO) WORK(KOFF) = ZERO 637 KOFF = KINT1 + NDIM(ISYM)*(IC-1) + I - 1 638 WORK(KDIAG+I-1) = WORK(KDIAG+I-1) - WORK(KOFF)*WORK(KOFF)
|
H A D | cc_cholesky.F | 787 DIAG(II) = DIAG(II) - WORK(KOFF)*WORK(KOFF) 2479 KOFF = IDIAG(ISYMAB) + 1 2490 DIAG(KOFF) = ZERO 2496 KOFF = IDIAG(ISYMAB) + I 2497 IF (DIAG(KOFF) .GT. XM) XM = DIAG(KOFF) 2498 IF (DIAG(KOFF) .LT. YM) YM = DIAG(KOFF) 3424 KOFF = NFIL1*MDIM + 1 3474 KOFF = 1 3494 KOFF = KOFF + NDIM 3745 KOFF = MDIM * NFIL1 + 1 [all …]
|
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/cc/ |
H A D | ccsoppa.F | 128 KOFF = 0 156 NIAONE = KOFF + NORBT*(IA - 1) + I 164 KOFF = KOFF + (NORBT + 1)*NORB(ISYMI) 177 KOFF = 0 186 NJJ = KOFF + NORBT*(J - 1) + J 204 NIJ = KOFF + NORBT*(J - 1) + I 223 KOFF = KOFF + (NORBT + 1)*NORB(ISYMJ) 236 KOFF = 0 276 KOFF = KOFF + (NORBT + 1)*NORB(ISYMB) 291 KOFF = 1 [all …]
|
H A D | cc_rdaod.F | 182 KOFF = 1 189 CALL DZERO(XINT(KOFF),NDIMAB(ISYMAB)) 190 KOFF = KOFF + NDIMAB(ISYMAB) 197 KOFF = 1 260 KOFF = KOFF + NDIMAB(ISYMAB) 431 KOFF = 1 440 IOFFRD(IGAM(IG),ID) = KOFF - 1 441 CALL DZERO(XINT(KOFF),NDIMPQ(ISYPQ)) 442 KOFF = KOFF + NDIMPQ(ISYPQ) 602 KOFF = IOFFRD(IGAM(IG),ID) + 1 [all …]
|
H A D | ccpt_btrden.F | 447 KOFF = KDENSBT 455 XNORM = DDOT(LENAIJD,WORK(KOFF),1,WORK(KOFF),1) 457 WRITE (LUPRI,*) 'IOFF', IOFF, 'KOFF ', KOFF 462 KOFF = KOFF + LENAIJD 600 KOFF = KDENSBT 608 XNORM = DDOT(LENIAJD,WORK(KOFF),1,WORK(KOFF),1) 610 WRITE (LUPRI,*) 'IOFF', IOFF, 'KOFF ', KOFF 614 KOFF = KOFF + LENIAJD 744 KOFF = KDENSBT 752 XNORM = DDOT(LENIJKD,WORK(KOFF),1,WORK(KOFF),1) [all …]
|
H A D | ccrhs_ipm1.F | 94 KOFF = NNBST(ISYMAB)*(IG - 1) 99 XINTP(KOFF + I) = SCRAB(INDV1(I)) 100 XINTM(KOFF + I) = SCRAB(INDV2(I)) 104 CALL GATHER(NNBST(ISYMAB),XINTP(KOFF + 1),SCRAB,INDV1) 105 CALL GATHER(NNBST(ISYMAB),XINTM(KOFF + 1),SCRAB,INDV2)
|
H A D | ccsd_sortao.F | 391 KOFF = 1 402 CALL PCKR8(XINT(KOFF),LENGTH,XINT(KOFF),NBYTE, 412 CALL PUTWA2(NFILE,NAME(ISYM),XINT(KOFF),IOFF,NDWORDS) 418 KOFF = KOFF + LENGTH
|
H A D | cc_active.F | 1119 KOFF = KFKDIA + I - 1 1120 OREN(I) = WORK(KOFF) 1529 KOFF = 0 1533 LACBSV(KOFF+I) = LACBAS(KOFF+I) 1535 KOFF = KOFF + NACTBS(ISYM) 1956 KOFF = 1 + NBAST * (I-1) 3417 KOFF = KFKDIA + I - 1 3418 WORK(KOFF) = 999.99D0 3496 KOFF = KCMO + IOFCMO(ISYM) 3822 KOFF = KFKDIA + I - 1 [all …]
|
H A D | cclr_util.F | 1994 KOFF = IT1AM(ISYM,ISYM) + 1 2007 KOFF = IT2AM(ISYM,ISYM) + 1 2008 CALL OUTPAK(T2AM(KOFF),NT1AM(ISYM),1,LUPRI) 2052 KOFF = LT1AM*(I-1) + IT1AM(ISYMA,ISYMI) + 1 2137 KOFF = LT1AO*(I-1) + IT1AO(ISYMA,ISYMI) + 1 2223 KOFF = LT1AM*(I-1) + IT1AM(ISYMA,ISYMI) + 1 2690 KOFF = IT1AM(ISYMA,ISYMI) 2692 CALL DZERO(T1AM(KOFF),NVIR(ISYMA)) 3800 KOFF = ITR12AM(ISYMKI,ISYMLJ) + 1 3882 KOFF = ITR12SQT(ISYMIJ,ISYMKL) + 1 [all …]
|
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/soppa/ |
H A D | so_t2m1.F | 92 T2M1(KOFF+NAI) = FACT*T2MP(NAIBJ)+T2M1(KOFF+NAI) 115 T2M1(KOFF+NAI) = T2M1(KOFF+NAI) + TMP 248 X2M1(KOFF+NAI) = FACT*X2MP(NAIBJ)+X2M1(KOFF+NAI) 271 X2M1(KOFF+NAI) = X2M1(KOFF+NAI) + TMP 307 KOFF = 0 346 KOFF = KOFF + NT1AM(ISYMAI)*NRHF(ISYMJ) 418 KOFF = 0 436 KOFF = KOFF + NT1AM(ISYMAI)*NRHF(ISYMJ) 528 X2M1(KOFF+NAI) = FACT*T2MP(NAIBJ)+X2M1(KOFF+NAI) 551 X2M1(KOFF+NAI) = X2M1(KOFF+NAI) + TMP [all …]
|
H A D | so_tfset.F | 35 KOFF = 1 + LTR * (I - 1) 36 CALL CCSD_TCMEPKX(ARRAY(KOFF),TWO,ISYMTR) 37 CALL DSCAL(LTR,HALF,ARRAY(KOFF),1)
|
H A D | so_intrp.F | 43 KOFF = IAODIS(ISYMA,ISYMB) 45 PRP1(KOFF) = PAOI(NABP)
|
/dports/misc/libemos/libemos-4.5.9-Source/interpolation/ |
H A D | iglsmst.F | 11 INTEGER FUNCTION IGLSMST (KUNIT, KOFF, KNWE, KFIRST, KSTRIDE, 148 INTEGER KUNIT, KOFF, KFIRST, KSTRIDE, KLEN, KNWE 185 CALL INTLOG(JP_DEBUG,'IGLSMST: Word offset in file = ',KOFF) 286 JDCINDX = (INDEX-1)*JPRAWSZ+(KOFF/JPBITS) + 1 287 JDCPNT = MOD(KOFF,JPBITS) 303 JDCINDX = (INDEX-1)*JPRAWSZ+(KOFF/JPBITS) + 1 304 JDCPNT = MOD(KOFF,JPBITS)
|
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/lucita/ |
H A D | density.F | 153 IF(IOFF.EQ.KOFF) THEN 187 KKOFF = KOFF 193 IF(IOFF.NE.KOFF) THEN 195 IIOFF = KOFF 212 KKOFF = KOFF 227 IIOFF = KOFF 388 IF(IOFF.EQ.KOFF) THEN 421 IF(IOFF.EQ.KOFF) THEN 433 IF(IOFF.NE.KOFF) THEN 1463 KOFF = IOBPTS(KTYP,KSM) [all …]
|
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/lucia/ |
H A D | tra_simple.F | 114 KOFF = 1 116 KOFF = KOFF + NTOOBS(KKSM)**2 904 KOFF = 1 906 KOFF = KOFF + NTOOBS(KKSM)**2 1071 KOFF = IBSO(KSM) 1073 KOFF = KOFF + NOBPTS(KKTP,KSM) 1089 DO KOB = KOFF,KOFF+NK-1 1526 KOFF = IBSO(KSM) 1704 KOFF = KOFF + NOBPTS(KKTP,KSM) 2004 KOFF = KOFF + NTOOBS(KKSM)**2 [all …]
|
H A D | densi2_ab.F | 1163 KOFF = IOBPTS(KTYP,KSM) 1271 IF(IOFF.EQ.KOFF) THEN 1305 KKOFF = KOFF 1311 IF(IOFF.NE.KOFF) THEN 1313 IIOFF = KOFF 1330 KKOFF = KOFF 1341 IF(IOFF.NE.KOFF.AND.JOFF.NE.LOFF) THEN 1345 IIOFF = KOFF 1392 IF(IOFF.NE.KOFF) THEN 1449 KL = (L+LOFF-2)*NORB + K+KOFF - 1 [all …]
|
/dports/science/nwchem-data/nwchem-7.0.2-release/src/lucia/ |
H A D | tra_simple.F | 114 KOFF = 1 116 KOFF = KOFF + NTOOBS(KKSM)**2 904 KOFF = 1 906 KOFF = KOFF + NTOOBS(KKSM)**2 1071 KOFF = IBSO(KSM) 1073 KOFF = KOFF + NOBPTS(KKTP,KSM) 1089 DO KOB = KOFF,KOFF+NK-1 1526 KOFF = IBSO(KSM) 1704 KOFF = KOFF + NOBPTS(KKTP,KSM) 2004 KOFF = KOFF + NTOOBS(KKSM)**2 [all …]
|
H A D | densi2_ab.F | 1163 KOFF = IOBPTS(KTYP,KSM) 1271 IF(IOFF.EQ.KOFF) THEN 1305 KKOFF = KOFF 1311 IF(IOFF.NE.KOFF) THEN 1313 IIOFF = KOFF 1330 KKOFF = KOFF 1341 IF(IOFF.NE.KOFF.AND.JOFF.NE.LOFF) THEN 1345 IIOFF = KOFF 1392 IF(IOFF.NE.KOFF) THEN 1449 KL = (L+LOFF-2)*NORB + K+KOFF - 1 [all …]
|
/dports/biology/mopac/mopac7-1.15/fortran/ |
H A D | makpol.f | 81 KOFF=NATOMS-2 84 KOFF=0 90 LOCPAR(NDEP)=I+KOFF
|
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/sirius/ |
H A D | sirfck.F | 2015 KOFF = IAODIS(ISYM,ISYM) + 1 2017 CALL OUTPUT(DEN(KOFF),1,NUMB,1,NUMB,NUMB,NUMB,1,LUPRI) 2023 KOFF = IVECD(ISYM,ISYM) + 1 2032 KOFF = IAODIS(ISYM,ISYM) + 1 2299 KOFF = IAODIS(ISYM,ISYM) + 1 2307 KOFF = IVECD(ISYM,ISYM) + 1 2316 KOFF = IAODIS(ISYM,ISYM) + 1 2665 KOFF = IAODIS(ISYMA,ISYMB) + 1 2675 KOFF = IAODIS(ISYMA,ISYMB) + 1 2907 KOFF = IAODIS(ISYMA,ISYMB) + 1 [all …]
|
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/rsp/ |
H A D | rspesg_gp.F | 74 KOFF = KH1AO 79 WRK(KOFF+(I-1)*NBAST+J-1)=WRK(K) 80 WRK(KOFF+(J-1)*NBAST+I-1)=WRK(K) 84 KOFF = KOFF + NBAS(ISYM)*NBAST + NBAS(ISYM)
|
/dports/math/xlife++/xlifepp-sources-v2.0.1-2018-05-09/ext/LAPACKBLAS/TESTING/LIN/ |
H A D | cchkpb.f | 204 $ IRHS, IUPLO, IW, IZERO, K, KD, KL, KOFF, KU, 288 KOFF = 1 291 KOFF = MAX( 1, KD+2-N ) 322 $ A( KOFF ), LDAB, WORK, INFO )
|
/dports/math/xlapack/lapack-3.10.0/TESTING/LIN/ |
H A D | cchkpb.f | 201 $ IRHS, IUPLO, IW, IZERO, K, KD, KL, KOFF, KU, 285 KOFF = 1 288 KOFF = MAX( 1, KD+2-N ) 319 $ A( KOFF ), LDAB, WORK, INFO )
|
H A D | schkpb.f | 204 $ IRHS, IUPLO, IW, IZERO, K, KD, KL, KOFF, KU, 289 KOFF = 1 292 KOFF = MAX( 1, KD+2-N ) 323 $ A( KOFF ), LDAB, WORK, INFO )
|