molSys::Point< T > Struct Template Reference

This contains per-particle information. More...

#include <mol_sys.hpp>

Public Attributes
int	type = 0
int	molID = 0
int	atomID = 0
T	x = 0
	type ID, molID, atomID
T	y = 0
T	z = 0
std::vector< Result >	c_ij
	coordinates
atom_state_type	iceType
	Results (contains bond correlation type).
bool	inSlice = true
	Type of ice/water etc based on cij.

Detailed Description

template<CoordinateScalar 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 152 of file mol_sys.hpp.

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

• /home/runner/work/seams-core/seams-core/src/include/internal/mol_sys.hpp