| /dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/api/ |
| H A D | intp_txyz.F | 15 subroutine intp_txyz(n_cent, n_geom, R, xyz_new) argument
26 double precision xyz_new(3) !< [Output] new coordinates based on R translations
32 call dcopy(3,0.0d00,0,xyz_new,1)
54 & 0.0d00,xyz_new,1)
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| H A D | intp_1eke.F | 56 double precision xyz_new(3) ! new coordinates for jsh function center
112 call intp_txyz(j_cent,j_geom,R,xyz_new)
120 & xyz_new,dbl_mb(mb_exndcf(j_iexp,jbas)),
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| H A D | intp_1eov.F | 56 double precision xyz_new(3) ! new coordinates for jsh function center
112 call intp_txyz(j_cent,j_geom,R,xyz_new)
120 & xyz_new,dbl_mb(mb_exndcf(j_iexp,jbas)),
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| H A D | intpd_1eke.F | 65 double precision xyz_new(3) ! new coordinates for jsh function center
131 call intp_txyz(j_cent,j_geom,R,xyz_new)
137 & xyz_new,dbl_mb(mb_exndcf(j_iexp,jbas)),
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| H A D | intpd_1eov.F | 64 double precision xyz_new(3) ! new coordinates for jsh function center
130 call intp_txyz(j_cent,j_geom,R,xyz_new)
136 & xyz_new,dbl_mb(mb_exndcf(j_iexp,jbas)),
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| H A D | intp_mpolel.F | 123 double precision xyz_new(3)
190 call intp_txyz(j_cent,j_geom,R,xyz_new)
212 & xyz_new,dbl_mb(mb_exndcf(j_iexp,jbas)),
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| H A D | intpd_mpolel.F | 140 double precision xyz_new(3)
211 call intp_txyz(j_cent,j_geom,R,xyz_new)
241 & xyz_new,
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| H A D | intp_mpole.F | 88 double precision xyz_new(3)
156 call intp_txyz(j_cent,j_geom,R,xyz_new)
185 & xyz_new,dbl_mb(mb_exndcf(j_iexp,jbas)),
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/api/ |
| H A D | intp_txyz.F | 15 subroutine intp_txyz(n_cent, n_geom, R, xyz_new) argument
26 double precision xyz_new(3) !< [Output] new coordinates based on R translations
32 call dcopy(3,0.0d00,0,xyz_new,1)
54 & 0.0d00,xyz_new,1)
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| H A D | intp_1eov.F | 56 double precision xyz_new(3) ! new coordinates for jsh function center local
112 call intp_txyz(j_cent,j_geom,R,xyz_new)
120 & xyz_new,dbl_mb(mb_exndcf(j_iexp,jbas)),
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| H A D | intp_1eke.F | 56 double precision xyz_new(3) ! new coordinates for jsh function center local
112 call intp_txyz(j_cent,j_geom,R,xyz_new)
120 & xyz_new,dbl_mb(mb_exndcf(j_iexp,jbas)),
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| H A D | intpd_1eke.F | 65 double precision xyz_new(3) ! new coordinates for jsh function center
131 call intp_txyz(j_cent,j_geom,R,xyz_new)
137 & xyz_new,dbl_mb(mb_exndcf(j_iexp,jbas)),
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| H A D | intpd_1eov.F | 64 double precision xyz_new(3) ! new coordinates for jsh function center
130 call intp_txyz(j_cent,j_geom,R,xyz_new)
136 & xyz_new,dbl_mb(mb_exndcf(j_iexp,jbas)),
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| H A D | intp_mpolel.F | 123 double precision xyz_new(3)
190 call intp_txyz(j_cent,j_geom,R,xyz_new)
212 & xyz_new,dbl_mb(mb_exndcf(j_iexp,jbas)),
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| H A D | intp_mpole.F | 88 double precision xyz_new(3) local
156 call intp_txyz(j_cent,j_geom,R,xyz_new)
185 & xyz_new,dbl_mb(mb_exndcf(j_iexp,jbas)),
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| H A D | intpd_mpolel.F | 140 double precision xyz_new(3) local
211 call intp_txyz(j_cent,j_geom,R,xyz_new)
241 & xyz_new,
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