| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/api/ |
| H A D | intd_1eh1.F | 160 integer jbas,jatom,jnp,jgen,jexp,jcf,jtype,jgeom,jsbas,jcfS local
258 jgeom = ibs_geom(jbas)
265 if (igeom.ne.jgeom) then
280 & .and. (.not.geom_any_finuc (jgeom))
290 & coords(1,jatom,jgeom),
308 & coords(1,jatom,jgeom),
326 & coords(1,jatom,jgeom),
368 & coords(1,jatom,jgeom),
384 & coords(1,jatom,jgeom),
|
| H A D | intd_1eov.F | 153 integer jbas,jatom,jnp,jgen,jexp,jcf,jtype,jgeom,jsbas,jcfS local
254 jgeom = ibs_geom(jbas)
260 if (igeom.ne.jgeom) then
269 & .and. (.not.geom_any_finuc (jgeom))
279 & coords(1,jatom,jgeom),
296 & coords(1,jatom,jgeom),
314 & coords(1,jatom,jgeom),
|
| H A D | intd_1eke.F | 148 integer jbas,jatom,jnp,jgen,jexp,jcf,jtype,jgeom,jsbas,jcfS local
249 jgeom = ibs_geom(jbas)
255 if (igeom.ne.jgeom) then
264 & .and. (.not.geom_any_finuc (jgeom))
273 & coords(1,jatom,jgeom),
290 & coords(1,jatom,jgeom),
308 & coords(1,jatom,jgeom),
|
| H A D | intd_1epot.F | 158 integer jbas,jatom,jnp,jgen,jexp,jcf,jtype,jgeom,jsbas,jcfS local
261 jgeom = ibs_geom(jbas)
268 if (igeom.ne.jgeom) then
283 & .and. (.not.geom_any_finuc (jgeom))
322 & coords(1,jatom,jgeom),
341 & coords(1,jatom,jgeom),
361 & coords(1,jatom,jgeom),
413 & coords(1,jatom,jgeom),
429 & coords(1,jatom,jgeom),
|
| H A D | int_angmom.F | 61 integer igeom, jgeom, ibas, jbas, ucont local
109 jgeom = ibs_geom(jbas)
111 if (igeom.ne.jgeom) then
127 & coords(1,jatom,jgeom),
|
| H A D | int_dso.F | 73 integer igeom, jgeom, ibas, jbas, ucont local
121 jgeom = ibs_geom(jbas)
123 if (igeom.ne.jgeom) then
139 & coords(1,jatom,jgeom),
|
| H A D | int_giaobq10.F | 70 integer igeom, jgeom, ibas, jbas, ucont local
118 jgeom = ibs_geom(jbas)
120 if (igeom.ne.jgeom) then
136 & coords(1,jatom,jgeom),
|
| H A D | int_giaos10.F | 64 integer igeom, jgeom, ibas, jbas, ucont local
112 jgeom = ibs_geom(jbas)
114 if (igeom.ne.jgeom) then
130 & coords(1,jatom,jgeom),
|
| H A D | int_pso.F | 74 integer igeom, jgeom, ibas, jbas, ucont local
122 jgeom = ibs_geom(jbas)
124 if (igeom.ne.jgeom) then
140 & coords(1,jatom,jgeom),
|
| H A D | int_dipvel.F | 53 integer igeom, jgeom, ibas, jbas, ucont local
101 jgeom = ibs_geom(jbas)
103 if (igeom.ne.jgeom) then
119 & coords(1,jatom,jgeom),
|
| H A D | int_giaoh01.F | 68 integer igeom, jgeom, ibas, jbas, ucont local
116 jgeom = ibs_geom(jbas)
118 if (igeom.ne.jgeom) then
134 & coords(1,jatom,jgeom),
|
| H A D | int_giaol10.F | 63 integer igeom, jgeom, ibas, jbas, ucont local
111 jgeom = ibs_geom(jbas)
113 if (igeom.ne.jgeom) then
129 & coords(1,jatom,jgeom),
|
| H A D | int_giaos100.F | 62 integer igeom, jgeom, ibas, jbas, ucont
110 jgeom = ibs_geom(jbas)
112 if (igeom.ne.jgeom) then
128 & coords(1,jatom,jgeom),
|
| H A D | int_veloc.F | 50 integer igeom, jgeom, ibas, jbas, ucont local
98 jgeom = ibs_geom(jbas)
100 if (igeom.ne.jgeom) then
116 & coords(1,jatom,jgeom),
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/api/ |
| H A D | intd_1eh1.F | 160 integer jbas,jatom,jnp,jgen,jexp,jcf,jtype,jgeom,jsbas,jcfS
258 jgeom = ibs_geom(jbas)
265 if (igeom.ne.jgeom) then
280 & .and. (.not.geom_any_finuc (jgeom))
290 & coords(1,jatom,jgeom),
308 & coords(1,jatom,jgeom),
326 & coords(1,jatom,jgeom),
368 & coords(1,jatom,jgeom),
384 & coords(1,jatom,jgeom),
|
| H A D | intd_1eke.F | 148 integer jbas,jatom,jnp,jgen,jexp,jcf,jtype,jgeom,jsbas,jcfS
249 jgeom = ibs_geom(jbas)
255 if (igeom.ne.jgeom) then
264 & .and. (.not.geom_any_finuc (jgeom))
273 & coords(1,jatom,jgeom),
290 & coords(1,jatom,jgeom),
308 & coords(1,jatom,jgeom),
|
| H A D | intd_1eov.F | 153 integer jbas,jatom,jnp,jgen,jexp,jcf,jtype,jgeom,jsbas,jcfS local
254 jgeom = ibs_geom(jbas)
260 if (igeom.ne.jgeom) then
269 & .and. (.not.geom_any_finuc (jgeom))
279 & coords(1,jatom,jgeom),
296 & coords(1,jatom,jgeom),
314 & coords(1,jatom,jgeom),
|
| H A D | intd_1epot.F | 158 integer jbas,jatom,jnp,jgen,jexp,jcf,jtype,jgeom,jsbas,jcfS local
261 jgeom = ibs_geom(jbas)
268 if (igeom.ne.jgeom) then
283 & .and. (.not.geom_any_finuc (jgeom))
322 & coords(1,jatom,jgeom),
341 & coords(1,jatom,jgeom),
361 & coords(1,jatom,jgeom),
413 & coords(1,jatom,jgeom),
429 & coords(1,jatom,jgeom),
|
| H A D | int_dso.F | 73 integer igeom, jgeom, ibas, jbas, ucont
121 jgeom = ibs_geom(jbas)
123 if (igeom.ne.jgeom) then
139 & coords(1,jatom,jgeom),
|
| H A D | int_giaobq10.F | 70 integer igeom, jgeom, ibas, jbas, ucont
118 jgeom = ibs_geom(jbas)
120 if (igeom.ne.jgeom) then
136 & coords(1,jatom,jgeom),
|
| H A D | int_giaoh01.F | 68 integer igeom, jgeom, ibas, jbas, ucont
116 jgeom = ibs_geom(jbas)
118 if (igeom.ne.jgeom) then
134 & coords(1,jatom,jgeom),
|
| H A D | int_veloc.F | 50 integer igeom, jgeom, ibas, jbas, ucont
98 jgeom = ibs_geom(jbas)
100 if (igeom.ne.jgeom) then
116 & coords(1,jatom,jgeom),
|
| H A D | int_giaos100.F | 62 integer igeom, jgeom, ibas, jbas, ucont
110 jgeom = ibs_geom(jbas)
112 if (igeom.ne.jgeom) then
128 & coords(1,jatom,jgeom),
|
| H A D | int_giaotv10.F | 65 integer igeom, jgeom, ibas, jbas, ucont
113 jgeom = ibs_geom(jbas)
115 if (igeom.ne.jgeom) then
131 & coords(1,jatom,jgeom),
|
| H A D | int_pso.F | 74 integer igeom, jgeom, ibas, jbas, ucont
122 jgeom = ibs_geom(jbas)
124 if (igeom.ne.jgeom) then
140 & coords(1,jatom,jgeom),
|