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occ
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This is the complete list of members for occ::disp::D3Dispersion, including all inherited members.
| coordination_numbers() const | occ::disp::D3Dispersion | |
| D3Dispersion(std::vector< core::Atom > atoms) | occ::disp::D3Dispersion | explicit |
| energy() const | occ::disp::D3Dispersion | |
| energy_and_gradient() const | occ::disp::D3Dispersion | |
| set_cutoffs(double disp2=60.0, double disp3=40.0, double cn=30.0) | occ::disp::D3Dispersion | inline |
| set_damping(const D3Damping &d) | occ::disp::D3Dispersion | inline |
| set_functional(const std::string &functional) | occ::disp::D3Dispersion | |
| update_positions(const std::vector< core::Atom > &atoms) | occ::disp::D3Dispersion |