molSys::Point< T > Struct Template Reference
This contains per-particle information. More...
#include <mol_sys.hpp>
Collaboration diagram for molSys::Point< T >:
Data Fields | |
| int | type |
| int | molID |
| int | atomID |
| T | x |
| type ID, molID, atomID More... | |
| T | y |
| T | z |
| std::vector< Result > | c_ij |
| coordinates More... | |
| atom_state_type | iceType |
| Results (contains bond correlation type) More... | |
| bool | inSlice = true |
| Type of ice/water etc based on cij. More... | |
Detailed Description
template<typename T>
struct molSys::Point< T >
This contains per-particle information.
Specifically
- Type ID
- Molecular ID
- Atom ID
- Coordinates
- Neighbourlist
- Bond correlation type of type Result
- Type of atom_state_type iceType
- In slice bool
Definition at line 149 of file mol_sys.hpp.
The documentation for this struct was generated from the following file:
- src/include/internal/mol_sys.hpp