| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/simint/source/ |
| H A D | nwcsim_hf2.F | 4 O ncomputed, eri,leri,scr,lscr) argument
13 integer leri local
77 O ncomputed, eri,leri,scr,lscr) argument
86 integer leri local
121 O ncomputed, eri,leri,scr,lscr) argument
130 integer leri local
167 O ncomputed, eri,leri,scr,lscr) argument
176 integer leri local
210 O ncomputed, eri,leri,scr,lscr) argument
219 integer leri local
[all …]
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/api/ |
| H A D | intp_2e2c.F | 18 & lscr, scr, leri, eri) argument
54 integer leri !< [Input] length of ERI array local
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| H A D | intdd_2e2c.F | 18 & lscr, scr, leri, eri, idatom) argument
109 integer leri !< [Input] length of eri array local
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| H A D | intdd_2e3c.F | 19 & lscr, scr, leri, eri, idatom) argument
111 integer leri !< [Input] length of eri array local
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| H A D | intdd_2e4c.F | 18 & lscr, scr, leri, eri, idatom) argument
111 integer leri !< [Input] length of eri array local
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| H A D | intd_2e2c.F | 18 & lscr, scr, leri, eri, idatom2) argument
51 integer leri !< [Input] length of eri array local
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| H A D | intd_2e3c.F | 19 & lscr, scr, leri, eri, idatom) argument
59 integer leri !< [Input] length of eri array local
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| H A D | intp_2e3ct.F | 18 & lscr, scr, leri, eri) argument
59 integer leri !< [Input] length of ERI array local
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| H A D | intp_2e3c.F | 18 & lscr, scr, leri, eri) argument
57 integer leri !< [Input] length of ERI array local
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| H A D | int_2e2c.F | 23 & lscr, scr, leri, eri) argument
71 integer leri !< [Input] length of integral array local
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| H A D | int_giao_2e.F | 47 & lscr, scr, leri, eri) argument
91 integer leri !< [In|Output] length of integral array local
217 subroutine giao_to_sph(eri,leri,scr,La,Lb,Lc,Ld,a_nbf,b_nbf,c_nbf, argument
223 integer leri local
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| H A D | int_l2e4c.F | 48 & zerotol, canonicalize, leri, eri, nint, ilab, jlab, klab, argument
83 integer leri !< [Input] length of integral array local
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| H A D | int_2e3c.F | 25 & lscr, scr, leri, eri) argument
78 integer leri !< [Input] length of integral array local
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| H A D | int_2e4c.F | 66 & lscr, scr, leri, eri) argument
118 integer leri !< [Input] the length of integral array local
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| H A D | intd_2e4c.F | 18 & lscr, scr, leri, eri, idatom) argument
62 integer leri !< [Input] length of eri array local
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/api/ |
| H A D | intpd_2e2c.F | 18 & lscr, scr, leri, eri, idatom2) argument
58 integer leri !< [Input] length of ERI array local
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/hondo/ |
| H A D | hnd_giahnd.F | 5 & ieqj,keql,giao_eri,leri,scr,lscr) argument
28 integer leri, lscr local
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/hessian/analytic/ |
| H A D | shell_fock_build.F | 1147 subroutine new_fock_doit_der(nint,labels,leri,eri,tol2e, argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/hessian/analytic/ |
| H A D | shell_fock_build.F | 1147 subroutine new_fock_doit_der(nint,labels,leri,eri,tol2e, argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/rel/ |
| H A D | rel_2e4c_sf.F | 18 & eri,leri,canAB,canCD,canPQ,DryRun,scr,lscr, argument
44 integer leri ! length of integral buffer local
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| H A D | rel_2e4cd_sf.F | 18 & eri,leri,canAB,canCD,canPQ,DryRun,scr,lscr, argument
44 integer leri ! length of integral buffer local
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/texas/ |
| H A D | texas_hf.F | 4 * eri,leri,icf,jcf,kcf,lcf,integ_n0,labels, argument
21 integer leri local
54 * eri,leri,icf,jcf,kcf,lcf,integ_n0,labels, argument
81 integer leri local
176 * ra,rb,rc,rd,use_r, bl ,l_blscr,eri,leri, argument
401 subroutine txs_setup(bl,inx,ncs,leri, argument
973 * leri,inx, nblock1,nbl2, argument
1100 subroutine request_split(leri,inx,nbl2, ijblock,klblock, argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/auxil/ |
| H A D | intb_chk_sum.F | 369 & leri,memscr,max_q,a_blk,nat, argument
382 integer leri,memscr,max_q,a_blk,nat,basis,geom local
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/auxil/ |
| H A D | intb_chk_sum.F | 369 & leri,memscr,max_q,a_blk,nat, argument
382 integer leri,memscr,max_q,a_blk,nat,basis,geom local
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