| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/texas/ |
| H A D | assemblx.F | 148 do 501 i=1,nbls1
184 do 551 i=1,nbls1
190 do 552 i=1,nbls1
196 do 553 i=1,nbls1
264 dimension aax(nbls1),bbx(nbls1),ccx(nbls1)
352 dimension aax(nbls1),bbx(nbls1),ccx(nbls1)
436 dimension aax(nbls1),bbx(nbls1),ccx(nbls1),expo(nbls1,6)
456 do i=1,nbls1
2024 dimension aax(nbls1),bbx(nbls1),ccx(nbls1)
2116 dimension aax(nbls1),bbx(nbls1),ccx(nbls1)
[all …]
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| H A D | convert.f | 31 nbls1=nbls
34 nbls1=nbls1*m
118 dimension xpnx(nbls1,3)
121 do 10 i=1,nbls1
130 do 20 i=1,nbls1
145 dimension xpnx(nbls1,3)
147 do 10 i=1,nbls1
166 dimension aax(nbls1)
168 do 10 i=1,nbls1
185 dimension aax(nbls1)
[all …]
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| H A D | gencon.f | 93 do 204 i=1,nbls1
159 do i=1,nbls1
167 do i=1,nbls1
236 do 100 i=1,nbls1
256 do 101 i=1,nbls1
262 do 102 i=1,nbls1
268 do 103 i=1,nbls1
274 do 104 i=1,nbls1
281 do 106 i=1,nbls1
429 dimension aax(nbls1),bbx(nbls1),ccx(nbls1)
[all …]
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| H A D | conbuf2_der.F | 18 dimension xt1(nbls1*lt1*lt2)
20 dimension aax(nbls1),bbx(nbls1),ccx(nbls1)
33 do i=1,nbls1
42 ijklxt = nbls1*ijkl1
43 do i=1,nbls1
57 ijklxt = nbls1*ijkl1
58 do i=1,nbls1
75 do i=1,nbls1
90 do i=1,nbls1
104 do i=1,nbls1
[all …]
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| H A D | abcd.F | 2 subroutine abcd_1(nbls1,lci,lcj, lcij,lckl, argument
35 dimension const(nbls1),gcoef(ngcd,*)
36 dimension abcd(nbls1)
45 x_prim_all=x_prim_all + nbls1
67 do i=1,nbls1
87 x_prim_wr1=x_prim_wr1 + nbls1 ! test
89 do i=1,nbls1
192 subroutine abcd_2(nbls1, lcij,lckl,index,
209 dimension const(nbls1), gcoef(ngcd,*)
241 x_prim_all=x_prim_all + nbls1 ! test only
[all …]
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| H A D | trobsa.F | 57 subroutine trobsa_2(bl,nbls1,l11,l12,mem2) argument
119 call ssssm(nbls1,bl(irys),bl(iconst),mmax1,
127 xlobsa2=xlobsa2+nbls1
129 xlobsa4=xlobsa4+nbls1
186 subroutine trobsa_1(bl,nbls1,l11,l12,mem2) argument
291 call memo1_int(nbls1,iq_u)
296 xlobsa2=xlobsa2+(nbls1-nbls1_u)
391 logical stable(nbls1)
395 do i=1,nbls1
461 icart_f=(icart-1)*nbls1
[all …]
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| H A D | spec_calcint.F | 939 nrimret=nrimret+nbls1
941 if(nbls1.eq.0) go to 34
956 nblsnot=nbls-nbls1
1062 nblsr=nbls1
1274 nrimret=nrimret+nbls1
1289 nblsnot=nbls-nbls1
1500 nrimret=nrimret+nbls1
1517 nblsnot=nbls-nbls1
1633 nblsr=nbls1
1851 nrimret=nrimret+nbls1
[all …]
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| H A D | precalc2.F | 819 nbls1=ijkl1
912 nbls1=ijkl1
917 do 210 i=1,nbls1
966 dimension xwp(nbls1,3),xwq(nbls1,3),p1234(nbls1,3)
1826 nbls1=ijkl1
1908 nbls1=ijkl1
1960 dimension xwp(nbls1,3),xwq(nbls1,3),p1234(nbls1,3)
1973 do 100 i=1,nbls1
2051 do 100 i=1,nbls1
2676 do i=1,nbls1
[all …]
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| H A D | zeroint.F | 9 subroutine zeroint(bl,nbls,nbls1,nbls2,l01,l02,indx,ngcd ,narr) argument
41 call setnot(nbls,nbls1,bl(indx),bl(idxnot),bl(idpres))
280 subroutine setnot(nbls,nbls1,indx,idxnot,idpres)
287 do 20 i=1,nbls1
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| H A D | spec_block.F | 697 nbls1=1
715 call in5c(nbls1,mmax1,nfumax,mempre4)
719 call in4a(nbls1,memasse,memtrob,where)
723 call in4b(nbls1,memamsh,where)
916 nbls1=1
918 call in4a(nbls1,memasse,memtrob,where)
922 call in4b(nbls1,memamsh,where)
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/texas/ |
| H A D | assemblx.F | 148 do 501 i=1,nbls1
184 do 551 i=1,nbls1
190 do 552 i=1,nbls1
196 do 553 i=1,nbls1
264 dimension aax(nbls1),bbx(nbls1),ccx(nbls1)
352 dimension aax(nbls1),bbx(nbls1),ccx(nbls1)
436 dimension aax(nbls1),bbx(nbls1),ccx(nbls1),expo(nbls1,6)
456 do i=1,nbls1
2024 dimension aax(nbls1),bbx(nbls1),ccx(nbls1)
2116 dimension aax(nbls1),bbx(nbls1),ccx(nbls1)
[all …]
|
| H A D | convert.f | 31 nbls1=nbls
34 nbls1=nbls1*m
118 dimension xpnx(nbls1,3)
121 do 10 i=1,nbls1
130 do 20 i=1,nbls1
145 dimension xpnx(nbls1,3)
147 do 10 i=1,nbls1
166 dimension aax(nbls1)
168 do 10 i=1,nbls1
185 dimension aax(nbls1)
[all …]
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| H A D | gencon.f | 93 do 204 i=1,nbls1
159 do i=1,nbls1
167 do i=1,nbls1
236 do 100 i=1,nbls1
256 do 101 i=1,nbls1
262 do 102 i=1,nbls1
268 do 103 i=1,nbls1
274 do 104 i=1,nbls1
281 do 106 i=1,nbls1
429 dimension aax(nbls1),bbx(nbls1),ccx(nbls1)
[all …]
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| H A D | conbuf2_der.F | 18 dimension xt1(nbls1*lt1*lt2)
20 dimension aax(nbls1),bbx(nbls1),ccx(nbls1)
33 do i=1,nbls1
42 ijklxt = nbls1*ijkl1
43 do i=1,nbls1
57 ijklxt = nbls1*ijkl1
58 do i=1,nbls1
75 do i=1,nbls1
90 do i=1,nbls1
104 do i=1,nbls1
[all …]
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| H A D | abcd.F | 2 subroutine abcd_1(nbls1,lci,lcj, lcij,lckl, argument
35 dimension const(nbls1),gcoef(ngcd,*)
36 dimension abcd(nbls1)
45 x_prim_all=x_prim_all + nbls1
67 do i=1,nbls1
87 x_prim_wr1=x_prim_wr1 + nbls1 ! test
89 do i=1,nbls1
192 subroutine abcd_2(nbls1, lcij,lckl,index,
209 dimension const(nbls1), gcoef(ngcd,*)
241 x_prim_all=x_prim_all + nbls1 ! test only
[all …]
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| H A D | trobsa.F | 57 subroutine trobsa_2(bl,nbls1,l11,l12,mem2) argument
119 call ssssm(nbls1,bl(irys),bl(iconst),mmax1,
127 xlobsa2=xlobsa2+nbls1
129 xlobsa4=xlobsa4+nbls1
186 subroutine trobsa_1(bl,nbls1,l11,l12,mem2)
291 call memo1_int(nbls1,iq_u)
296 xlobsa2=xlobsa2+(nbls1-nbls1_u)
391 logical stable(nbls1)
395 do i=1,nbls1
461 icart_f=(icart-1)*nbls1
[all …]
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| H A D | spec_calcint.F | 939 nrimret=nrimret+nbls1
941 if(nbls1.eq.0) go to 34
956 nblsnot=nbls-nbls1
1062 nblsr=nbls1
1274 nrimret=nrimret+nbls1
1289 nblsnot=nbls-nbls1
1500 nrimret=nrimret+nbls1
1517 nblsnot=nbls-nbls1
1633 nblsr=nbls1
1851 nrimret=nrimret+nbls1
[all …]
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| H A D | precalc2.F | 819 nbls1=ijkl1
912 nbls1=ijkl1
917 do 210 i=1,nbls1
966 dimension xwp(nbls1,3),xwq(nbls1,3),p1234(nbls1,3)
1826 nbls1=ijkl1
1908 nbls1=ijkl1
1960 dimension xwp(nbls1,3),xwq(nbls1,3),p1234(nbls1,3)
1973 do 100 i=1,nbls1
2051 do 100 i=1,nbls1
2676 do i=1,nbls1
[all …]
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| H A D | zeroint.F | 9 subroutine zeroint(bl,nbls,nbls1,nbls2,l01,l02,indx,ngcd ,narr) argument
41 call setnot(nbls,nbls1,bl(indx),bl(idxnot),bl(idpres))
280 subroutine setnot(nbls,nbls1,indx,idxnot,idpres)
287 do 20 i=1,nbls1
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| H A D | spec_block.F | 697 nbls1=1
715 call in5c(nbls1,mmax1,nfumax,mempre4)
719 call in4a(nbls1,memasse,memtrob,where)
723 call in4b(nbls1,memamsh,where)
916 nbls1=1
918 call in4a(nbls1,memasse,memtrob,where)
922 call in4b(nbls1,memamsh,where)
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