/dports/science/nwchem-data/nwchem-7.0.2-release/src/lucia/ |
H A D | diis.F | 36 LBLK = -1 343 LBLK = -1 504 LBLK = -1 744 & NVEC_SUB,0,LBLK) 833 LBLK = -1 1280 LBLK = -1 1741 LBLK = -1 1772 LBLK = -1 1914 LBLK = -1 1968 LBLK = -1 [all …]
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H A D | micdv6o.F | 158 CALL WRTVCD(VEC1,LU1,0,LBLK) 159 CALL WRTVCD(VEC1,LU2,0,LBLK) 436 CALL REWINE(LU5,LBLK) 439 CALL REWINE(LU6,LBLK) 442 CALL REWINE( LU1,LBLK) 444 CALL REWINE(LU6,LBLK) 449 CALL REWINE(LU3,LBLK) 451 CALL REWINE(LU6,LBLK) 732 & LBLK,LU6,LU7) 791 & 1,LBLK,LU5,LU7) [all …]
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H A D | lucia6.F | 156 CALL WRTVCD(VEC,LUOUT,1,LBLK) 288 LBLK = -1 346 CALL COPVCDP(LU4,LU5,VEC1,1,LBLK) 357 CALL COPVCDP(LU4,LU5,VEC1,0,LBLK) 372 CALL WRTVCD(VEC1,LU5,0,LBLK) 549 & NVEC,1,LBLK) 611 & LU7,0,LBLK) 733 CALL WRTVCD(VEC1,LU6,1,LBLK) 746 CALL WRTVCD(VEC1,LU6,1,LBLK) 1216 LBLK = -1 [all …]
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H A D | lucia4.F | 2940 NBL1 = LBLK 2941 NBL2 = LBLK 2942 NBL3 = LBLK 3029 LBLK = -1 3285 LBLK = -1 3507 LBLK = -1 3903 CALL REWINE(LU3,LBLK) 3906 CALL REWINE(LU4,LBLK) 4028 CALL REWINE(LU1,LBLK) 4655 LBLK = -1 [all …]
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H A D | lucia3.F | 26 LBLK = 40 27 NBLK = NIB/LBLK 102 LBLK = 40 1480 LBLK = 40 1528 LBLK = 40 6303 LBLK = -1 6534 LBLK = -1 6672 LBLK = -1 6823 LBLK = -1 6920 LBLK = -1 [all …]
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H A D | baserou.F | 1146 LBL = LBLK 1195 LBL = LBLK 1399 LBL1 = LBLK 1400 LBL2 = LBLK 1475 LBL1 = LBLK 1476 LBL2 = LBLK 1571 LBL1 = LBLK 1572 LBL2 = LBLK 2761 NBL1 = LBLK 2762 NBL2 = LBLK [all …]
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H A D | lucia_cc.F | 98 INTEGER LBLK(*) 106 L = LBLK(IBLK) 475 LBLK = -1 677 LBLK = -1 707 LBLK = -1 2546 LBLK = -1 2615 LBLK = -1 2676 LBLK = -1 2757 LBLK = -1 2883 LBLK = -1 [all …]
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H A D | tra_kappa.F | 28 LBLK = -1 59 CALL VEC_FROM_DISC(WORK(KKAP),NOXC_TOT,1,LBLK,LUKAP) 64 CALL VEC_FROM_DISC(WORK(KLCMO),LCMO,1,LBLK,LUCMO) 157 LBLK = -1 187 CALL VEC_FROM_DISC(WORK(KKAP),NOXC_TOT,1,LBLK,LUKAP) 189 CALL VEC_FROM_DISC(WORK(KKAP),NOXC_TOT,1,LBLK,LUDKAP) 207 CALL COPVCD(LUUMAT,LUSCR,WORK(KLBUF2),0,LBLK) 211 & CALL VEC_FROM_DISC(WORK(KLUM),LEN,1,LBLK,LUSCR) 316 LBLK = -1 378 LBLK = -1 [all …]
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H A D | lucia_anders.F | 227 LBLK = -1 243 & INPRDD(WORK(KVEC1),WORK(KVEC2),LUC,LUSC2,1,LBLK) 270 LBLK = -1 299 & 1,LBLK) 301 E2A = 2.0D0*INPRDD(WORK(KVEC1),WORK(KVEC2),LUC,LUSC1,1,LBLK) 331 & 1,LBLK) 333 E2B = 2.0D0*INPRDD(WORK(KVEC1),WORK(KVEC2),LUC,LUSC1,1,LBLK)
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/lucia/ |
H A D | diis.F | 36 LBLK = -1 343 LBLK = -1 504 LBLK = -1 744 & NVEC_SUB,0,LBLK) 833 LBLK = -1 1280 LBLK = -1 1741 LBLK = -1 1772 LBLK = -1 1914 LBLK = -1 1968 LBLK = -1 [all …]
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H A D | micdv6o.F | 158 CALL WRTVCD(VEC1,LU1,0,LBLK) 159 CALL WRTVCD(VEC1,LU2,0,LBLK) 436 CALL REWINE(LU5,LBLK) 439 CALL REWINE(LU6,LBLK) 442 CALL REWINE( LU1,LBLK) 444 CALL REWINE(LU6,LBLK) 449 CALL REWINE(LU3,LBLK) 451 CALL REWINE(LU6,LBLK) 732 & LBLK,LU6,LU7) 791 & 1,LBLK,LU5,LU7) [all …]
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H A D | lucia6.F | 156 CALL WRTVCD(VEC,LUOUT,1,LBLK) 288 LBLK = -1 346 CALL COPVCDP(LU4,LU5,VEC1,1,LBLK) 357 CALL COPVCDP(LU4,LU5,VEC1,0,LBLK) 372 CALL WRTVCD(VEC1,LU5,0,LBLK) 549 & NVEC,1,LBLK) 611 & LU7,0,LBLK) 733 CALL WRTVCD(VEC1,LU6,1,LBLK) 746 CALL WRTVCD(VEC1,LU6,1,LBLK) 1216 LBLK = -1 [all …]
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H A D | lucia4.F | 2940 NBL1 = LBLK 2941 NBL2 = LBLK 2942 NBL3 = LBLK 3029 LBLK = -1 3285 LBLK = -1 3507 LBLK = -1 3903 CALL REWINE(LU3,LBLK) 3906 CALL REWINE(LU4,LBLK) 4028 CALL REWINE(LU1,LBLK) 4655 LBLK = -1 [all …]
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H A D | lucia3.F | 26 LBLK = 40 27 NBLK = NIB/LBLK 102 LBLK = 40 1480 LBLK = 40 1528 LBLK = 40 6303 LBLK = -1 6534 LBLK = -1 6672 LBLK = -1 6823 LBLK = -1 6920 LBLK = -1 [all …]
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H A D | baserou.F | 1146 LBL = LBLK 1195 LBL = LBLK 1399 LBL1 = LBLK 1400 LBL2 = LBLK 1475 LBL1 = LBLK 1476 LBL2 = LBLK 1571 LBL1 = LBLK 1572 LBL2 = LBLK 2773 NBL1 = LBLK 5992 LBL = LBLK [all …]
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H A D | lucia_cc.F | 98 INTEGER LBLK(*) 106 L = LBLK(IBLK) 475 LBLK = -1 677 LBLK = -1 707 LBLK = -1 2546 LBLK = -1 2615 LBLK = -1 2676 LBLK = -1 2757 LBLK = -1 2883 LBLK = -1 [all …]
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H A D | tra_kappa.F | 28 LBLK = -1 59 CALL VEC_FROM_DISC(WORK(KKAP),NOXC_TOT,1,LBLK,LUKAP) 64 CALL VEC_FROM_DISC(WORK(KLCMO),LCMO,1,LBLK,LUCMO) 157 LBLK = -1 187 CALL VEC_FROM_DISC(WORK(KKAP),NOXC_TOT,1,LBLK,LUKAP) 189 CALL VEC_FROM_DISC(WORK(KKAP),NOXC_TOT,1,LBLK,LUDKAP) 207 CALL COPVCD(LUUMAT,LUSCR,WORK(KLBUF2),0,LBLK) 211 & CALL VEC_FROM_DISC(WORK(KLUM),LEN,1,LBLK,LUSCR) 316 LBLK = -1 378 LBLK = -1 [all …]
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/gp/ |
H A D | gplucia_io.F | 52 LBL = LBLK 105 LBL = LBLK 147 LBL = LBLK 193 LBL1 = LBLK 194 LBL2 = LBLK 273 LBL1 = LBLK 274 LBL2 = LBLK 343 LBL = LBLK 404 LBL = LBLK 488 LBL = LBLK [all …]
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/lucita/ |
H A D | diagonalize.F | 447 & 1,LBLK) 499 CALL REWINE(LU5,LBLK) 500 CALL REWINE(LU6,LBLK) 516 CALL REWINE(LU6,LBLK) 519 CALL REWINE( LU1,LBLK) 527 CALL REWINE(LU3,LBLK) 530 CALL REWINE(LU6,LBLK) 1387 CALL REWINE(LU3,LBLK) 3800 IF(LBLK.GT.0 ) THEN 3810 NDIM = LBLK [all …]
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H A D | property.F | 403 LBLK = -1 461 CALL COPVCDP(LU4,LU5,VEC1,1,LBLK) 472 CALL COPVCDP(LU4,LU5,VEC1,0,LBLK) 487 CALL WRTVCD(VEC1,LU5,0,LBLK) 664 & NVEC,1,LBLK) 667 CALL WRTVCD(VEC1,LU6,1,LBLK) 726 & LU7,0,LBLK) 848 CALL WRTVCD(VEC1,LU6,1,LBLK) 861 CALL WRTVCD(VEC1,LU6,1,LBLK) 880 CALL WRTVCD(VEC1,LU6,1,LBLK) [all …]
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H A D | vecmat.F | 1551 LBLK = -1 2028 IF(LBLK .GT. 0 ) THEN 2029 LBL = LBLK 2039 IF(LBLK .GE.0 ) THEN 2129 CALL REWINE( LU1,LBLK) 2130 CALL REWINE( LU2,LBLK) 2139 NBL1 = LBLK 2140 NBL2 = LBLK 2204 IF(LBLK.GT.0) THEN 2585 IF(LBLK .GT. 0 ) THEN [all …]
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H A D | io.F | 262 SUBROUTINE TODSCN(VEC,NREC,LREC,LBLK,LU) argument 277 CALL ITODS(LREC(IREC),1,LBLK,LU) 278 CALL TODSC_LUCI(VEC(IOFF),LREC(IREC),LBLK,LU) 281 CALL ITODS(-LREC(IREC),1,LBLK,LU) 293 SUBROUTINE TODSCNP(VEC,NREC,LREC,LBLK,LU) argument 310 CALL ITODS(LREC(IREC),1,LBLK,LU) 311 CALL TODSCP(VEC(IOFF),LREC(IREC),LBLK,LU) 315 CALL ITODS(-LREC(IREC),1,LBLK,LU)
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H A D | lucita_davidson_driver.F | 117 CALL REWINE(LUC,LBLK) 185 CALL REWINE(LUC,LBLK) 189 CALL WRTVCD(VEC1,LUC,0,LBLK) 192 CALL REWINE(LUC,LBLK) 197 CALL REWINE(LUC,LBLK) 206 CALL REWINE(LUC,LBLK) 242 & NP1,NP2,NQ,H0SCR,EIGSHF,ICISTR,LBLK,IDIAG, 349 CALL FNDMND_PAR(LUDIA,LBLK,VEC1,NFINDM,NFINDA, 354 CALL FNDMND(LUDIA,LBLK,VEC1,NFINDM,NFINDA, 486 CALL WRSVCD(LU1,LBLK,VEC1,IPNTR, [all …]
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/dports/misc/libemos/libemos-4.5.9-Source/gribex/ |
H A D | reclen.F | 130 CALL GBYTE (BLOCK(IWORD),LBLK,IOFF,24) 131 LEN = LEN + LBLK 132 IF (LBLK.EQ.0) 140 CALL OFFSET (IOFF,LBLK,IWORD,8,NBIT,ILENG,IERR) 180 CALL GBYTE (BLOCK(IWORD),LBLK,IOFF,24) 181 LEN = LEN + LBLK 183 IF (LBLK.EQ.0)
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/dports/science/dcl/dcl-5.4.8/src/misc1/misclib/ |
H A D | cdblk.f | 10 LOGICAL LBLK local 13 LBLK=.TRUE. 17 IF (.NOT.(CHR(I:I).EQ.' ' .AND. LBLK)) THEN 23 LBLK=CHR(I:I).EQ.' '
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