| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | semi_empirical_mpole_types.F | 45 TYPE(semi_empirical_mpole_type), POINTER :: mpole component
74 SUBROUTINE semi_empirical_mpole_p_create(mpole, ndim) argument
76 POINTER :: mpole local
98 SUBROUTINE semi_empirical_mpole_p_release(mpole) argument
100 POINTER :: mpole local
121 SUBROUTINE semi_empirical_mpole_create(mpole) argument
122 TYPE(semi_empirical_mpole_type), POINTER :: mpole local
146 SUBROUTINE semi_empirical_mpole_release(mpole) argument
147 TYPE(semi_empirical_mpole_type), POINTER :: mpole local
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| H A D | semi_empirical_mpole_methods.F | 72 TYPE(semi_empirical_mpole_type), POINTER :: mpole local
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| H A D | se_fock_matrix_coulomb.F | 524 TYPE(semi_empirical_mpole_type), POINTER :: mpole local
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| H A D | semi_empirical_int_gks.F | 1301 TYPE(semi_empirical_mpole_type), POINTER :: mpole local
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | semi_empirical_mpole_types.F | 45 TYPE(semi_empirical_mpole_type), POINTER :: mpole component
74 SUBROUTINE semi_empirical_mpole_p_create(mpole, ndim) argument
76 POINTER :: mpole local
98 SUBROUTINE semi_empirical_mpole_p_release(mpole) argument
100 POINTER :: mpole local
121 SUBROUTINE semi_empirical_mpole_create(mpole) argument
122 TYPE(semi_empirical_mpole_type), POINTER :: mpole local
146 SUBROUTINE semi_empirical_mpole_release(mpole) argument
147 TYPE(semi_empirical_mpole_type), POINTER :: mpole local
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| H A D | semi_empirical_mpole_methods.F | 72 TYPE(semi_empirical_mpole_type), POINTER :: mpole local
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| H A D | se_fock_matrix_coulomb.F | 524 TYPE(semi_empirical_mpole_type), POINTER :: mpole local
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| H A D | semi_empirical_int_gks.F | 1301 TYPE(semi_empirical_mpole_type), POINTER :: mpole local
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/hondo/ |
| H A D | hnd_init_1emtpl.F | 1 subroutine int_init_1emtpl(maxbuf,maxscr,basis,mpole) argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/hondo/ |
| H A D | hnd_init_1emtpl.F | 1 subroutine int_init_1emtpl(maxbuf,maxscr,basis,mpole) argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/property/ |
| H A D | hnd_mtpcon.F | 1 subroutine hnd_mtpcon(basis,geom,g_dens,mtpval,mpole,centerl) argument
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| H A D | hnd_mtpole.F | 1 subroutine hnd_mtpole(rtdb,basis,geom,mpole) argument
536 subroutine hnd_mtpole2(rtdb,basis,geom,mpole,mtpval) argument
748 subroutine hnd_mtpole_nuclear(rtdb,geom,mpole,mtpval) argument
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| /dports/science/bagel/bagel-1.2.2/src/prop/ |
| H A D | multipole.cc | 53 MMBatch mpole(input, geom_, rank_); in compute() local
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| H A D | sphmultipole.cc | 55 MultipoleBatch mpole(input, geom_->charge_center(), rank_); in compute() local
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/property/ |
| H A D | hnd_mtpcon.F | 1 subroutine hnd_mtpcon(basis,geom,g_dens,mtpval,mpole,centerl) argument
26 integer mpole ! [input] multipole order local
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| H A D | hnd_mtpole.F | 1 subroutine hnd_mtpole(rtdb,basis,geom,mpole) argument
25 integer mpole ! [input] order of multipole local
536 subroutine hnd_mtpole2(rtdb,basis,geom,mpole,mtpval) argument
560 integer mpole ! [input] order of multipole local
748 subroutine hnd_mtpole_nuclear(rtdb,geom,mpole,mtpval) argument
771 integer mpole ! [input] order of multipole local
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ |
| H A D | tce_mod1_new.F | 1 subroutine tce_mod1_new(rtdb,d_mod1,mpole) argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ |
| H A D | tce_mod1_new.F | 1 subroutine tce_mod1_new(rtdb,d_mod1,mpole) argument
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| /dports/science/bagel/bagel-1.2.2/src/molecule/ |
| H A D | shellpair.cc | 51 MultipoleBatch mpole(shells_, Q, lmax); in multipoles() local
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| /dports/science/bagel/bagel-1.2.2/src/scf/fmm/ |
| H A D | box.cc | 223 MultipoleBatch mpole(v->shells(), centre_, lmax_); in compute_M2M() local
556 MultipoleBatch mpole(v->shells(), centre_, lmax_); in compute_Fock_ff() local
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