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/dports/science/nwchem-data/nwchem-7.0.2-release/src/lucia/
H A Ddiis.F36 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 …]
H A Dmicdv6o.F158 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 …]
H A Dlucia6.F156 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 …]
H A Dlucia4.F2940 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 …]
H A Dlucia3.F26 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 …]
H A Dbaserou.F1146 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 …]
H A Dlucia_cc.F98 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 …]
H A Dtra_kappa.F28 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 …]
H A Dlucia_anders.F227 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)
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/lucia/
H A Ddiis.F36 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 …]
H A Dmicdv6o.F158 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 …]
H A Dlucia6.F156 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 …]
H A Dlucia4.F2940 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 …]
H A Dlucia3.F26 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 …]
H A Dbaserou.F1146 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 …]
H A Dlucia_cc.F98 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 …]
H A Dtra_kappa.F28 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 …]
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/gp/
H A Dgplucia_io.F52 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 …]
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/lucita/
H A Ddiagonalize.F447 & 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 …]
H A Dproperty.F403 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 …]
H A Dvecmat.F1551 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 …]
H A Dio.F262 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)
H A Dlucita_davidson_driver.F117 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 …]
/dports/misc/libemos/libemos-4.5.9-Source/gribex/
H A Dreclen.F130 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)
/dports/science/dcl/dcl-5.4.8/src/misc1/misclib/
H A Dcdblk.f10 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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