Searched refs:get_nucl_repulsion_energy_using_multipoles (Results 1 – 1 of 1) sorted by relevance
1006 get_nucl_repulsion_energy_using_multipoles(const Atom *atomListReordered, in get_nucl_repulsion_energy_using_multipoles() function1094 sum += get_nucl_repulsion_energy_using_multipoles(atomListReordered, in get_nucl_repulsion_energy_using_multipoles()1222 ergo_real nuclRepEnergy = get_nucl_repulsion_energy_using_multipoles(atomListReordered, in compute_V_and_gradient_linear()1492 ergo_real nuclRepEnergy = get_nucl_repulsion_energy_using_multipoles(atomListReordered, in compute_V_hierarchical()