Searched defs:idx_atoms (Results 1 – 4 of 4) sorted by relevance
| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/include/ |
| H A D | geom_total.h | 34 QInt *idx_atoms; /* indices of atoms to be used as differentiated centers */ member
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| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/include/private/ |
| H A D | geom_part.h | 33 QInt *idx_atoms; /* indices of atoms to be used as differentiated centers */ member
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| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/gen1int/ |
| H A D | gen1int_api.F90 | 432 subroutine Gen1IntAPIUpdateMolecule(num_atoms, idx_atoms, charge_atoms, coord_atoms, & argument
435 integer, optional, intent(in) :: idx_atoms(num_atoms) local
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| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/src/ |
| H A D | gen1int_geom.F90 | 40 integer, allocatable :: idx_atoms(:) component
233 subroutine NaryTreeSetAtoms(num_atoms, idx_atoms, nary_tree, info_geom) argument
235 integer, intent(in) :: idx_atoms(num_atoms) local
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