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
 
x
 type ID, molID, atomID More...
 
y
 
z
 
std::vector< Resultc_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 145 of file mol_sys.hpp.


The documentation for this struct was generated from the following file: