occ
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This is the complete list of members for occ::disp::D4Dispersion, including all inherited members.
D4Dispersion(const occ::core::Molecule &) | occ::disp::D4Dispersion | |
D4Dispersion(const std::vector< occ::core::Atom > &atoms) | occ::disp::D4Dispersion | |
energy() const | occ::disp::D4Dispersion | |
energy_and_gradient() const | occ::disp::D4Dispersion | |
set_atoms(const std::vector< occ::core::Atom > &atoms) | occ::disp::D4Dispersion | |
set_charge(int charge) | occ::disp::D4Dispersion | inline |
set_functional(const std::string &functional) | occ::disp::D4Dispersion | |
set_parameters(const dftd4::dparam ¶meters) | occ::disp::D4Dispersion | inline |