12 parent(stencil.parent)
22 int i_localParticle=0;
25 int particle= particleContributingPair.first;
26 int contributing= particleContributingPair.second;
29 assert(result.second &&
"Insertion failed in the creation of a glocalLocalMap");
31 assert(result.second &&
"Insertion failed in the creation of a localGlobalMap");
Represents atomic configuration data including coordinates, velocities, and species.
std::vector< std::string > species
Species names for each particle (size equals numberOfParticles).
MatrixXd velocities
Velocities of particles.
int numberOfParticles
Total number of particles in the configuration.
std::map< ConfigType, MatrixXd > coordinates
Map from configuration type (Reference or Current) to coordinate matrices.
std::map< int, int > particleContributingMap
SubConfiguration(const Stencil &stencil)
std::map< int, int > globalLocalMap
const Configuration & parent
std::map< int, int > localGlobalMap
VectorXi particleContributing