Type | Location | Extends | Description |
---|---|---|---|
angle_type | mimic_types | None | |
atom_type | mimic_particles | nucleus_type | type representing an atom |
bond_type | mimic_types | None | |
cell_type | mimic_cells | None | simulation cell type |
density_type | mimic_field_grids | real_field_grid_type | electronic density type |
fragment_type | mimic_fragments | None | generic fragment |
map_type | mimic_types | None | map for overlapping atoms, represents many-to-one relation |
maps_type | mimic_types | None | collection of maps for overlap mapping (for one client) |
mimic_communicator | mimic_data_collect | None | communicator type providing routines to handle data interactions |
mimic_stack_entry | mimic_utils | None | Class representing the call stack entry |
mimic_timer | mimic_utils | None | Timer class storing all function calls |
multipoles_type | mimic_properties | None | contains multipoles and related variables and procedures |
nucleus_type | mimic_particles | particle_type | type representing a nucleus |
particle_type | mimic_particles | None | base type for particles |
potential_type | mimic_field_grids | real_field_grid_type | external potential on an electronic grid |
quantum_fragment_type | mimic_fragments | None | quantum system representation (currently can only be one per simulation) |
real_field_grid_type | mimic_field_grids | None | real field discretized on a grid |
site_type | mimic_particles | particle_type | non-atomic site (e.g. bond midpoints) |
sizes_type | mimic_types | None | system sizes type, used to allocate structures |
subsystem_type | mimic_subsystems | None | subsystem which is a collection of atoms |
system_type | mimic_types | None | type holding the data about the system, used in allocation of internal structures |