BaseChkptMol: superclass: BaseDataClass doc: | Base class for checkpointed molecules. Not to be used directly. All times are in seconds. items: - name: id type: int - name: species type: Species* - name: diffusion_time type: float - name: birthday type: float - name: flags type: int - name: unimol_rxn_time type: float default: unset ChkptVolMol: superclass: BaseChkptMol doc: | Class representing a checkpointed volume molecule. Not to be used directly. items: - name: pos type: Vec3 ChkptSurfMol: superclass: BaseChkptMol doc: | Class representing a checkpointed surface molecule. Not to be used directly. items: - name: pos type: Vec2 - name: orientation type: Orientation - name: geometry_object type: GeometryObject* - name: wall_index type: int - name: grid_tile_index type: int RngState: superclass: BaseDataClass doc: Internal checkpointing structure holding state of the random number generator. items: - name: randcnt type: uint64 - name: aa type: uint64 - name: bb type: uint64 - name: cc type: uint64 - name: randslr type: List[uint64] doc: Must contain RNG_SIZE items. - name: mm type: List[uint64] doc: Must contain RNG_SIZE items. - name: rngblocks type: uint64 doc: Must contain RNG_SIZE items.