Derived Types

TypeLocationExtendsDescription
angle_typemimic_typesNone
atom_typemimic_particlesnucleus_type

type representing an atom

bond_typemimic_typesNone
cell_typemimic_cellsNone

simulation cell type

density_typemimic_field_gridsreal_field_grid_type

electronic density type

fragment_typemimic_fragmentsNone

generic fragment

map_typemimic_typesNone

map for overlapping atoms, represents many-to-one relation

maps_typemimic_typesNone

collection of maps for overlap mapping (for one client)

mimic_communicatormimic_data_collectNone

communicator type providing routines to handle data interactions

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mimic_stack_entrymimic_utilsNone

Class representing the call stack entry

mimic_timermimic_utilsNone

Timer class storing all function calls

multipoles_typemimic_propertiesNone

contains multipoles and related variables and procedures

nucleus_typemimic_particlesparticle_type

type representing a nucleus

particle_typemimic_particlesNone

base type for particles

potential_typemimic_field_gridsreal_field_grid_type

external potential on an electronic grid

quantum_fragment_typemimic_fragmentsNone

quantum system representation (currently can only be one per simulation)

real_field_grid_typemimic_field_gridsNone

real field discretized on a grid

site_typemimic_particlesparticle_type

non-atomic site (e.g. bond midpoints)

sizes_typemimic_typesNone

system sizes type, used to allocate structures

subsystem_typemimic_subsystemsNone

subsystem which is a collection of atoms

system_typemimic_typesNone

type holding the data about the system, used in allocation of internal structures