diff --git a/src/core/CellStructure.hpp b/src/core/CellStructure.hpp index e81ae9abda1..74a51560b12 100644 --- a/src/core/CellStructure.hpp +++ b/src/core/CellStructure.hpp @@ -669,8 +669,10 @@ struct CellStructure { * @brief Run kernel on all particles inside cell and neighbors. * * @param p Particle to identify cell and neighbors - * @param kernel Function with signature double(Particle, Particle, Vector) - * @return false if cell is not found via @ref particle_to_cell, otherwise true + * @param kernel Function with signature double(Particle, Particle, + * Vector) + * @return false if cell is not found via @ref particle_to_cell, otherwise + * true */ template bool run_on_particle_short_range_neighbors(Particle const &p, @@ -699,7 +701,7 @@ struct CellStructure { Kernel &kernel, DistanceFunc const &df) { /* Iterate over particles inside cell */ for (auto const &part : cell->particles()) { - if (&part == &p) { + if (part.id() == p.id()) { continue; } auto const vec = df(p, part).vec21; diff --git a/src/core/energy.hpp b/src/core/energy.hpp index 59aba46d526..cb11c0a089c 100644 --- a/src/core/energy.hpp +++ b/src/core/energy.hpp @@ -49,8 +49,7 @@ double observable_compute_energy(); * energy contribution for particle p * * @param pid Particle id - * @return Double containing short-range Coulomb and non-bonded energy of the - * particle + * @return Double containing non-bonded energy of the energy */ double particle_short_range_energy_contribution(int pid); diff --git a/src/python/espressomd/cellsystem.pyx b/src/python/espressomd/cellsystem.pyx index 07dc3ca9a1e..015d82b43b9 100644 --- a/src/python/espressomd/cellsystem.pyx +++ b/src/python/espressomd/cellsystem.pyx @@ -146,6 +146,10 @@ cdef class CellSystem: The list of neighbor particles surrounding the particle """ + check_type_or_throw_except( + particle, 1, ParticleHandle, 'type is not a particle') + check_type_or_throw_except( + distance, 1, float, 'distance must be a float') cdef vector[int] list_of_neighbors list_of_neighbors = mpi_get_short_range_neighbors( particle.id, distance)