/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/api/ |
H A D | int_l2e3c.F | 27 subroutine int_l2e3c(brain, ish, ketin, jsh, ksh, argument 55 integer ketin !< [Input] ket basis set handle 79 shells_ok = shells_ok .and. int_chk_sh(ketin,jsh) 80 shells_ok = shells_ok .and. int_chk_sh(ketin,ksh) 91 write(luout,*)'ket basis set handle:',ketin 100 ket = ketin + BASIS_HANDLE_OFFSET 105 numint = int_nint_cart(brain,ish,ketin,jsh,ketin,ksh,0,0) 107 call int_2e3c(brain,ish,ketin,jsh,ksh,
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H A D | intb_2e4c.F | 75 logical function intb_2e4c(brain, icl, jcl, ketin, kcl, lcl, 96 integer ketin !< [Input] basis handle for ket local 127 if (brain.ne.ketin .or. (.not.txs_b2e4c)) then 129 $ brain, icl, jcl, ketin, kcl, lcl, 140 $ brain, icl, jcl, ketin, kcl, lcl, 167 $ ketin, kcl(num_q_start), lcl(num_q_start), 212 logical function intb_nw_2e4c(brain, icl, jcl, ketin, kcl, lcl, 283 & ketin,kcl(i_q),ketin,lcl(i_q)) 288 numintk=int_nint_cart(ketin,kcl(i_q),0,0,0,0,0,0) 289 numintl=int_nint_cart(ketin,lcl(i_q),0,0,0,0,0,0) [all …]
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H A D | intdd_2e3c.F | 18 subroutine intdd_2e3c(brain, ish, ketin, jsh, ksh, argument 108 integer ketin !< [Input] basis set handle for ket basis local 138 nint = int_nint_cart(brain,ish,0, 0,ketin,jsh,ketin,ksh) 147 ket = ketin + BASIS_HANDLE_OFFSET 180 & cando_txs(brain,ish,0).and.cando_txs(ketin,jsh,ksh) 194 & ketin,txs_k,txs_l,num_quart, 203 nintzero = int_nint(brain,ish,0,0,ketin,jsh,ketin,ksh)
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H A D | exact_mem.F | 360 ket = ketin + BASIS_HANDLE_OFFSET 416 if (ketin.eq.brain) then 527 ket = ketin + BASIS_HANDLE_OFFSET 580 if (ketin.eq.brain) then 673 ket = ketin + BASIS_HANDLE_OFFSET 798 if (brain.eq.ketin) then 873 if (ketin.eq.brain) then 998 if (ketin.eq.brain) then 1121 if (ketin.eq.brain) then 1369 if (ketin.eq.brain) then [all …]
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H A D | intdd_2e4c.F | 17 subroutine intdd_2e4c(brain, ish, jsh, ketin, ksh, lsh, argument 107 integer ketin !< [Input] basis set handle for ket basis local 139 nint = int_nint_cart(brain,ish,brain,jsh,ketin,ksh,ketin,lsh) 147 ket = ketin + BASIS_HANDLE_OFFSET 184 & cando_txs(brain,ish,jsh).and.cando_txs(ketin,ksh,lsh) 198 & ketin,txs_k,txs_l,num_quart, 206 nintzero = int_nint(brain,ish,brain,jsh,ketin,ksh,ketin,lsh)
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H A D | int_2e3c.F | 24 subroutine int_2e3c(brain, ish, ketin, jsh, ksh, argument 73 integer ketin !< [Input] ket basis set handle local 117 nint = int_nint_cart(brain,ish,ketin,jsh,ketin,ksh,ketin,0) 133 shells_ok = shells_ok .and. int_chk_sh(ketin,jsh) 134 shells_ok = shells_ok .and. int_chk_sh(ketin,ksh) 140 call int_nogencont_check(ketin,'int_2e3c:ket') 149 ket = ketin + BASIS_HANDLE_OFFSET 199 & .and. (ketin .eq. ao_bsh) 227 & ketin,jsh,coords(1,c_cent,cd_geom), 247 & ketin,txs_j,txs_k,num_quart, [all …]
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H A D | int_2e2c.F | 22 subroutine int_2e2c(brain, ish, ketin, jsh, argument 67 integer ketin !< [Input] ket basis set handle local 114 shells_ok = shells_ok .and. int_chk_sh(ketin,jsh) 120 call int_nogencont_check(ketin,'int_2e2c:ket') 129 ket = ketin + BASIS_HANDLE_OFFSET 158 status_nw = cando_nw(brain,ish,0).and.cando_nw(ketin,jsh,0) 159 status_sp = cando_sp(brain,ish,0).and.cando_sp(ketin,jsh,0) 160 status_sim = cando_sim(brain,ish,0).and.cando_sim(ketin,jsh,0) 174 & ketin,jsh,coords(1,q_cent,q_geom), 194 & ketin,txs_j,txs_d2,num_quart, [all …]
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H A D | intpd_2e3c.F | 17 subroutine intpd_2e3c(brain, ish, ketin, jsh, ksh, Ri, Rj, argument 56 integer ketin !< [Input] basis set handle for ket function 97 shells_ok = shells_ok .and. int_chk_sh(ketin,jsh) 98 shells_ok = shells_ok .and. int_chk_sh(ketin,ksh) 106 call int_nogencont_check(ketin,'intpd_2e3c:ket') 108 call int_nospshell_check(ketin,'intpd_2e3c:ket') 113 ket = ketin + BASIS_HANDLE_OFFSET 128 mynint = int_nint_cart(brain,ish,ketin,jsh,ketin,ksh,0,0) 144 if(cando_nw(brain,ish,0).and.cando_nw(ketin,jsh,ksh)) then 195 write(luout,*)' ketin :',ketin
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H A D | exactd_mem.F | 184 ket = ketin + BASIS_HANDLE_OFFSET 259 if (ketin.eq.brain) then 330 ket = ketin + BASIS_HANDLE_OFFSET 402 if (ketin.eq.brain) then 475 ket = ketin + BASIS_HANDLE_OFFSET 534 nint = int_unint(brain,ibc,brain,ibc,ketin,ikc,ketin,ikc) 607 nint = int_unint(brain,ibc,brain,ibc,ketin,ikc,ketin,ikc) 737 nint = int_unint(brain,ibc,ketin,ikc,ketin,ikc,ketin,ikc) 806 if (ketin.eq.brain) then 965 nint = int_unint(brain,ibc,brain,jbc,ketin,kkc,ketin,lkc) [all …]
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H A D | int_l2e4c.F | 77 integer ketin !< [Input] ket basis set handle local 117 shells_ok = shells_ok .and. int_chk_sh(ketin,ksh) 118 shells_ok = shells_ok .and. int_chk_sh(ketin,lsh) 124 & cando_sp(ketin, ksh, lsh) 126 & cando_txs(ketin, ksh, lsh) .and. 143 & ketin, txs_k, txs_l, num_quart, 150 braket = brain.eq.ketin 188 braket = brain.eq.ketin 237 ket = ketin + BASIS_HANDLE_OFFSET 240 & ketin, ksh, ketin, lsh) [all …]
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H A D | intd_2e3c.F | 18 subroutine intd_2e3c(brain, ish, ketin, jsh, ksh, argument 55 integer ketin !< [Input] basis set handle for ket basis local 122 nint = int_nint_cart(brain,ish,ketin,jsh,ketin,ksh,ketin,0) 133 call int_nogencont_check(ketin,'intd_2e3c:ket') 135 call int_nospshell_check(ketin,'intd_2e3c:ket') 138 ket = ketin + BASIS_HANDLE_OFFSET 176 & cando_txs(brain,ish,0).and.cando_txs(ketin,jsh,ksh) 178 & cando_nw(brain,ish,0).and.cando_nw(ketin,jsh,ksh) 179 status_sim = cando_sim(brain,ish,0).and.cando_sim(ketin,jsh,ksh)
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H A D | intpd_2e2c.F | 17 subroutine intpd_2e2c(brain, ish, ketin, jsh, Rj, argument 54 integer ketin !< [Input] basis set handle for ket function 88 shells_ok = shells_ok .and. int_chk_sh(ketin,jsh) 97 call int_nogencont_check(ketin,'intpd_2e2c:ket') 99 call int_nospshell_check(ketin,'intpd_2e2c:ket') 104 ket = ketin + BASIS_HANDLE_OFFSET 115 mynint = int_nint_cart(brain,ish,ketin,jsh,0,0,0,0) 132 if(cando_nw(brain,ish,0).and.cando_nw(ketin,jsh,0)) then 176 write(luout,*)' ketin :',ketin
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/api/ |
H A D | int_l2e3c.F | 27 subroutine int_l2e3c(brain, ish, ketin, jsh, ksh, argument 55 integer ketin !< [Input] ket basis set handle 79 shells_ok = shells_ok .and. int_chk_sh(ketin,jsh) 80 shells_ok = shells_ok .and. int_chk_sh(ketin,ksh) 91 write(luout,*)'ket basis set handle:',ketin 100 ket = ketin + BASIS_HANDLE_OFFSET 105 numint = int_nint_cart(brain,ish,ketin,jsh,ketin,ksh,0,0) 107 call int_2e3c(brain,ish,ketin,jsh,ksh,
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H A D | intb_2e4c.F | 75 logical function intb_2e4c(brain, icl, jcl, ketin, kcl, lcl, 96 integer ketin !< [Input] basis handle for ket local 127 if (brain.ne.ketin .or. (.not.txs_b2e4c)) then 129 $ brain, icl, jcl, ketin, kcl, lcl, 140 $ brain, icl, jcl, ketin, kcl, lcl, 167 $ ketin, kcl(num_q_start), lcl(num_q_start), 212 logical function intb_nw_2e4c(brain, icl, jcl, ketin, kcl, lcl, 283 & ketin,kcl(i_q),ketin,lcl(i_q)) 288 numintk=int_nint_cart(ketin,kcl(i_q),0,0,0,0,0,0) 289 numintl=int_nint_cart(ketin,lcl(i_q),0,0,0,0,0,0) [all …]
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H A D | intdd_2e3c.F | 18 subroutine intdd_2e3c(brain, ish, ketin, jsh, ksh, argument 108 integer ketin !< [Input] basis set handle for ket basis 138 nint = int_nint_cart(brain,ish,0, 0,ketin,jsh,ketin,ksh) 147 ket = ketin + BASIS_HANDLE_OFFSET 180 & cando_txs(brain,ish,0).and.cando_txs(ketin,jsh,ksh) 194 & ketin,txs_k,txs_l,num_quart, 203 nintzero = int_nint(brain,ish,0,0,ketin,jsh,ketin,ksh)
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H A D | exact_mem.F | 360 ket = ketin + BASIS_HANDLE_OFFSET 416 if (ketin.eq.brain) then 527 ket = ketin + BASIS_HANDLE_OFFSET 580 if (ketin.eq.brain) then 673 ket = ketin + BASIS_HANDLE_OFFSET 798 if (brain.eq.ketin) then 873 if (ketin.eq.brain) then 998 if (ketin.eq.brain) then 1121 if (ketin.eq.brain) then 1369 if (ketin.eq.brain) then [all …]
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H A D | intdd_2e4c.F | 17 subroutine intdd_2e4c(brain, ish, jsh, ketin, ksh, lsh, argument 107 integer ketin !< [Input] basis set handle for ket basis 139 nint = int_nint_cart(brain,ish,brain,jsh,ketin,ksh,ketin,lsh) 147 ket = ketin + BASIS_HANDLE_OFFSET 184 & cando_txs(brain,ish,jsh).and.cando_txs(ketin,ksh,lsh) 198 & ketin,txs_k,txs_l,num_quart, 206 nintzero = int_nint(brain,ish,brain,jsh,ketin,ksh,ketin,lsh)
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H A D | int_2e3c.F | 24 subroutine int_2e3c(brain, ish, ketin, jsh, ksh, argument 73 integer ketin !< [Input] ket basis set handle 117 nint = int_nint_cart(brain,ish,ketin,jsh,ketin,ksh,ketin,0) 133 shells_ok = shells_ok .and. int_chk_sh(ketin,jsh) 134 shells_ok = shells_ok .and. int_chk_sh(ketin,ksh) 140 call int_nogencont_check(ketin,'int_2e3c:ket') 149 ket = ketin + BASIS_HANDLE_OFFSET 199 & .and. (ketin .eq. ao_bsh) 227 & ketin,jsh,coords(1,c_cent,cd_geom), 247 & ketin,txs_j,txs_k,num_quart, [all …]
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H A D | int_2e2c.F | 22 subroutine int_2e2c(brain, ish, ketin, jsh, argument 67 integer ketin !< [Input] ket basis set handle 114 shells_ok = shells_ok .and. int_chk_sh(ketin,jsh) 120 call int_nogencont_check(ketin,'int_2e2c:ket') 129 ket = ketin + BASIS_HANDLE_OFFSET 158 status_nw = cando_nw(brain,ish,0).and.cando_nw(ketin,jsh,0) 159 status_sp = cando_sp(brain,ish,0).and.cando_sp(ketin,jsh,0) 160 status_sim = cando_sim(brain,ish,0).and.cando_sim(ketin,jsh,0) 174 & ketin,jsh,coords(1,q_cent,q_geom), 194 & ketin,txs_j,txs_d2,num_quart, [all …]
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H A D | intpd_2e3c.F | 17 subroutine intpd_2e3c(brain, ish, ketin, jsh, ksh, Ri, Rj, argument 56 integer ketin !< [Input] basis set handle for ket function 97 shells_ok = shells_ok .and. int_chk_sh(ketin,jsh) 98 shells_ok = shells_ok .and. int_chk_sh(ketin,ksh) 106 call int_nogencont_check(ketin,'intpd_2e3c:ket') 108 call int_nospshell_check(ketin,'intpd_2e3c:ket') 113 ket = ketin + BASIS_HANDLE_OFFSET 128 mynint = int_nint_cart(brain,ish,ketin,jsh,ketin,ksh,0,0) 144 if(cando_nw(brain,ish,0).and.cando_nw(ketin,jsh,ksh)) then 195 write(luout,*)' ketin :',ketin
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H A D | exactd_mem.F | 184 ket = ketin + BASIS_HANDLE_OFFSET 259 if (ketin.eq.brain) then 330 ket = ketin + BASIS_HANDLE_OFFSET 402 if (ketin.eq.brain) then 475 ket = ketin + BASIS_HANDLE_OFFSET 534 nint = int_unint(brain,ibc,brain,ibc,ketin,ikc,ketin,ikc) 607 nint = int_unint(brain,ibc,brain,ibc,ketin,ikc,ketin,ikc) 737 nint = int_unint(brain,ibc,ketin,ikc,ketin,ikc,ketin,ikc) 806 if (ketin.eq.brain) then 965 nint = int_unint(brain,ibc,brain,jbc,ketin,kkc,ketin,lkc) [all …]
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H A D | int_l2e4c.F | 77 integer ketin !< [Input] ket basis set handle 117 shells_ok = shells_ok .and. int_chk_sh(ketin,ksh) 118 shells_ok = shells_ok .and. int_chk_sh(ketin,lsh) 124 & cando_sp(ketin, ksh, lsh) 126 & cando_txs(ketin, ksh, lsh) .and. 143 & ketin, txs_k, txs_l, num_quart, 150 braket = brain.eq.ketin 188 braket = brain.eq.ketin 237 ket = ketin + BASIS_HANDLE_OFFSET 240 & ketin, ksh, ketin, lsh) [all …]
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H A D | intd_2e3c.F | 18 subroutine intd_2e3c(brain, ish, ketin, jsh, ksh, argument 55 integer ketin !< [Input] basis set handle for ket basis 122 nint = int_nint_cart(brain,ish,ketin,jsh,ketin,ksh,ketin,0) 133 call int_nogencont_check(ketin,'intd_2e3c:ket') 135 call int_nospshell_check(ketin,'intd_2e3c:ket') 138 ket = ketin + BASIS_HANDLE_OFFSET 176 & cando_txs(brain,ish,0).and.cando_txs(ketin,jsh,ksh) 178 & cando_nw(brain,ish,0).and.cando_nw(ketin,jsh,ksh) 179 status_sim = cando_sim(brain,ish,0).and.cando_sim(ketin,jsh,ksh)
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H A D | intpd_2e2c.F | 17 subroutine intpd_2e2c(brain, ish, ketin, jsh, Rj, argument 54 integer ketin !< [Input] basis set handle for ket function local 88 shells_ok = shells_ok .and. int_chk_sh(ketin,jsh) 97 call int_nogencont_check(ketin,'intpd_2e2c:ket') 99 call int_nospshell_check(ketin,'intpd_2e2c:ket') 104 ket = ketin + BASIS_HANDLE_OFFSET 115 mynint = int_nint_cart(brain,ish,ketin,jsh,0,0,0,0) 132 if(cando_nw(brain,ish,0).and.cando_nw(ketin,jsh,0)) then 176 write(luout,*)' ketin :',ketin
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/dports/mail/roundcube/roundcubemail-1.5.1/plugins/acl/localization/ |
H A D | ku.inc | 18 $labels['myrights'] = 'Mafên Têketinê'; 74 $labels['longaclother'] = 'Mafên din ên têketinê'; 75 $labels['ariasummaryacltable'] = 'Lîsteya mafên têketinê'; 77 $labels['arialabelaclform'] = 'Forma mafên têketinê'; 78 $messages['deleting'] = 'Mafên têketinê tên jêbirin...'; 79 $messages['saving'] = 'Mafên têketinê tên tomarkirin...'; 80 $messages['updatesuccess'] = 'Mafên têketinê bi serkeftin hatin guhartin'; 81 $messages['deletesuccess'] = 'Mafên têketinê bi serkeftin hatin jêbirin'; 83 $messages['updateerror'] = 'Nûkirina mafên têketinê bigire'; 84 $messages['deleteerror'] = 'Jêbirina mafên têketinê bigire'; [all …]
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