occ
Loading...
Searching...
No Matches
occ::disp::D3Dispersion Member List

This is the complete list of members for occ::disp::D3Dispersion, including all inherited members.

coordination_numbers() constocc::disp::D3Dispersion
D3Dispersion(std::vector< core::Atom > atoms)occ::disp::D3Dispersionexplicit
energy() constocc::disp::D3Dispersion
energy_and_gradient() constocc::disp::D3Dispersion
set_cutoffs(double disp2=60.0, double disp3=40.0, double cn=30.0)occ::disp::D3Dispersioninline
set_damping(const D3Damping &d)occ::disp::D3Dispersioninline
set_functional(const std::string &functional)occ::disp::D3Dispersion
update_positions(const std::vector< core::Atom > &atoms)occ::disp::D3Dispersion