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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/choles/
H A Dnocc_util.F132 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 Dcc_decmo.F212 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 Dcc_cholesky.F787 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 Dccsoppa.F128 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 Dcc_rdaod.F182 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 Dccpt_btrden.F447 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 Dccrhs_ipm1.F94 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 Dccsd_sortao.F391 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 Dcc_active.F1119 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 Dcclr_util.F1994 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 Dso_t2m1.F92 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 Dso_tfset.F35 KOFF = 1 + LTR * (I - 1)
36 CALL CCSD_TCMEPKX(ARRAY(KOFF),TWO,ISYMTR)
37 CALL DSCAL(LTR,HALF,ARRAY(KOFF),1)
H A Dso_intrp.F43 KOFF = IAODIS(ISYMA,ISYMB)
45 PRP1(KOFF) = PAOI(NABP)
/dports/misc/libemos/libemos-4.5.9-Source/interpolation/
H A Diglsmst.F11 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 Ddensity.F153 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 Dtra_simple.F114 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 Ddensi2_ab.F1163 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 Dtra_simple.F114 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 Ddensi2_ab.F1163 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 Dmakpol.f81 KOFF=NATOMS-2
84 KOFF=0
90 LOCPAR(NDEP)=I+KOFF
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/sirius/
H A Dsirfck.F2015 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 Drspesg_gp.F74 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 Dcchkpb.f204 $ 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 Dcchkpb.f201 $ 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 Dschkpb.f204 $ 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 )

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