| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/lucita/ |
| H A D | crun.inc | 10 integer :: NRESP, MAXORD_OP, MXITLE,N_AVE_OP,IROOTHOMING,IUSE_PH
28 & ITRAPRP,NEXCSTATE,IEXCSYM,IRESPONS,NRESP, &
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| H A D | program.F | 3141 READ(LUCMOL,*) NRESP
3142 IF(NRESP.GT. MXNRESP) THEN
3144 WRITE(luwrt,*) ' Specified number of calcs = ', NRESP
3149 DO IRESP = 1, NRESP
4312 NRESP = 0
5226 DO IRESP = 1, NRESP
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| H A D | property.F | 133 WRITE(6,*) ' Number of CI response calculations ', NRESP
135 DO ICALC= 1, NRESP
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| H A D | lucita_setup.F90 | 427 NRESP = 0
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| /dports/graphics/dataplot/dataplot-2c1b27601a3b7523449de612613eadeead9a8f70/src/ |
| H A D | dp30.F | 2210 NRESP=0
2212 NRESP=1
3936 NRESP=0
3944 NRESP=1
3966 NRESP=1
7130 NRESP=0
7136 NRESP=1
7159 NRESP=1
18039 NRESP=0
18045 NRESP=1
[all …]
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| H A D | dp17.F | 354 NRESP=1
446 NRESP=2
498 NRESP=2
508 NRESP=2
614 NRESP=2
624 NRESP=2
681 MINNVA=NRESP
1432 NRESP=1
1441 NRESP=2
14570 NRESP=1
[all …]
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| H A D | dp15.F | 9294 NRESP=ISTANR
10972 NRESP=NUMV2-1
11380 NRESP=NUMV2-2
11826 NRESP=NUMV2-3
12237 NRESP=NUMV2-4
12672 NRESP=NUMV2-5
17695 NRESP=0
17703 NRESP=1
17725 NRESP=1
20224 NRESP=0
[all …]
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| H A D | dp16.F | 2153 NRESP=0
2159 NRESP=1
2183 NRESP=1
3089 NRESP=1
6186 NRESP=0
6195 NRESP=1
6217 NRESP=1
14405 NRESP=0
14411 NRESP=1
14438 NRESP=1
[all …]
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| H A D | dp11.F | 8057 NRESP=1
8277 NRESP=2
8571 NRESP=1
15972 NRESP=1
19097 NRESP=0
19106 NRESP=1
19128 NRESP=1
33650 NRESP=0
33656 NRESP=1
33677 NRESP=2
[all …]
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| H A D | dp27.F | 1811 NRESP=0
1814 NRESP=NUMVAR
1816 NRESP=1
1837 NRESP=NUMVAR
3352 NRESP=0
3358 NRESP=1
3361 NRESP=1
12332 NRESP=0
12338 NRESP=1
12359 NRESP=1
[all …]
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| H A D | dp22.F | 8648 NRESP=0
8658 NRESP=1
8700 NRESP=1
8736 NRESP=1
15800 NRESP=0
15809 NRESP=1
15841 NRESP=1
29616 NRESP=0
29622 NRESP=1
29643 NRESP=1
[all …]
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| H A D | dp9.F | 6322 NRESP=1
6325 NRESP=2
6340 NRESP=1
6368 NRESP=1
8282 NRESP=1
8287 NRESP=1
26049 NRESP=1
31626 NRESP=0
31632 NRESP=1
31651 NRESP=1
[all …]
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| H A D | dp23.F | 5779 NRESP=0
5783 NRESP=NUMVAR
5785 NRESP=1
5786 NREPL=NUMVAR-NRESP
5804 NRESP=1
5808 WRITE(ICOUT,221)NRESP,NREPL
5955 DO410IRESP=1,NRESP
6019 IF(IRESP.EQ.NRESP)ILAST=.TRUE.
6792 NRESP=1
6795 ITEMP=I+NRESP
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| H A D | dp28.F | 13876 NRESP=0
13880 NRESP=NUMVAR
13882 NRESP=1
13888 NREPL=NUMVAR-NRESP-NLABID
13909 NRESP=1
13910 NLABID=NUMVAR-NRESP
14039 ELSEIF(NRESP.GT.1)THEN
14047 DO810IRESP=1,NRESP
14248 IADD=NRESP+NLABID
15011 NRESP=1
[all …]
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| H A D | dp31.F | 8588 NRESP=0
8592 NRESP=NUMVAR
8594 NRESP=1
8595 NREPL=NUMVAR-NRESP
8613 NRESP=1
9592 NRESP=1
9595 ITEMP=I+NRESP
10550 NRESP=0
10553 NRESP=NUMVAR
10555 NRESP=1
[all …]
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| H A D | dp12.F | 288 NRESP=0
292 NRESP=NUMVAR
294 NRESP=1
321 NRESP=1
322 NLABID=NUMVAR-NRESP
438 ELSEIF(NRESP.GT.1)THEN
446 DO810IRESP=1,NRESP
635 IADD=NRESP+NLABID
1327 NRESP=1
1328 IADD=NLABID+NRESP
[all …]
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| H A D | dp8.F | 10358 NRESP=0
10361 NRESP=NUMVAR
10363 NRESP=1
10364 NREPL=NUMVAR-NRESP
10384 NRESP=NUMVAR
10417 DO810IRESP=1,NRESP
16690 NRESP=0
16694 NRESP=NUMVAR
16696 NRESP=1
16697 NREPL=NUMVAR-NRESP
[all …]
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| H A D | dp13.F | 1949 NRESP=0
1953 NRESP=NUMVAR
1955 NRESP=1
1961 NREPL=NUMVAR-NRESP-NLABID
1979 NRESP=1
1980 NLABID=NUMVAR-NRESP
2103 ELSEIF(NRESP.GT.1)THEN
2111 DO810IRESP=1,NRESP
2304 IADD=NRESP+NLABID
3053 NRESP=1
[all …]
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| H A D | dp21.F | 6349 NRESP=0
6352 NRESP=NUMVAR
6354 NRESP=1
6375 NRESP=NUMVAR
41522 NRESP=0
41525 NRESP=NUMVAR
41528 NRESP=1
41550 NRESP=NUMVAR
44296 NRESP=0
44304 NRESP=1
[all …]
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| H A D | dp19.F | 1693 NRESP=0
1697 NRESP=NUMVAR
1699 NRESP=1
1721 NRESP=1
3768 NRESP=0
3770 NRESP=NUMVAR
3772 NRESP=1
7369 NRESP=0
7372 NRESP=NUMVAR
7374 NRESP=1
[all …]
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| H A D | dp14.F | 4538 NRESP=0
4542 NRESP=NUMVAR
4544 NRESP=1
4545 NREPL=NUMVAR-NRESP
4566 NRESP=1
4578 WRITE(ICOUT,601)NRESP,NREPL
4596 DO810IRESP=1,NRESP
4640 ELSEIF(NRESP.EQ.1 .AND. NREPL.GE.1)THEN
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/lucia/ |
| H A D | crun.inc | 21 & NRESP,IRSPRT(20),IPAD1,MAXORD_OP(2,20),
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| H A D | lucia6.F | 1271 WRITE(6,*) ' Number of CI response calculations ', NRESP
1273 DO ICALC= 1, NRESP
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/lucia/ |
| H A D | crun.inc | 21 & NRESP,IRSPRT(20),IPAD1,MAXORD_OP(2,20),
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| H A D | lucia6.F | 1271 WRITE(6,*) ' Number of CI response calculations ', NRESP
1273 DO ICALC= 1, NRESP
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