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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/api/
H A Dint_l2e3c.F27 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,
H A Dintb_2e4c.F75 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 …]
H A Dintdd_2e3c.F18 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)
H A Dexact_mem.F360 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 …]
H A Dintdd_2e4c.F17 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)
H A Dint_2e3c.F24 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 …]
H A Dint_2e2c.F22 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 …]
H A Dintpd_2e3c.F17 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
H A Dexactd_mem.F184 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 …]
H A Dint_l2e4c.F77 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 …]
H A Dintd_2e3c.F18 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)
H A Dintpd_2e2c.F17 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
/dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/api/
H A Dint_l2e3c.F27 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,
H A Dintb_2e4c.F75 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 …]
H A Dintdd_2e3c.F18 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)
H A Dexact_mem.F360 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 …]
H A Dintdd_2e4c.F17 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)
H A Dint_2e3c.F24 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 …]
H A Dint_2e2c.F22 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 …]
H A Dintpd_2e3c.F17 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
H A Dexactd_mem.F184 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 …]
H A Dint_l2e4c.F77 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 …]
H A Dintd_2e3c.F18 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)
H A Dintpd_2e2c.F17 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
/dports/mail/roundcube/roundcubemail-1.5.1/plugins/acl/localization/
H A Dku.inc18 $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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