Information needed for the placement of virtual sites and transmission of forces on these sites to their frame atoms which have mass. More...

Public Member Functions
	VirtualSiteKit (int nsite_in, int nframe_set_in, const int vs_atoms_in, const int frame1_idx_in, const int frame2_idx_in, const int frame3_idx_in, const int frame4_idx_in, const int vs_param_idx_in, const int vs_types_in, const T dim1_in, const T dim2_in, const T dim3_in)
	The constructor follows other abstracts and is produced based on pointers from an AtomGraph object.


	VirtualSiteKit (const VirtualSiteKit &original)=default
	Take the default copy and move constructors. The assignment operators will get implicitly deleted as this is just a collection of constants.

	VirtualSiteKit (VirtualSiteKit &&other)=default

Public Attributes
const int	nsite
	The number of virtual sites in the topology.

const int	nframe_set
	The number of unique frame parameter sets in the topology.

const int *	vs_atoms
	Topological indicies of frame atoms.

const int *	frame1_idx
	Topological indices of frame atom 1 (the parent atom)

const int *	frame2_idx
	Topological indices of frame atom 2.

const int *	frame3_idx
	Topological indices of frame atom 3.

const int *	frame4_idx
	Topological indices of frame atom 4.

const int *	vs_param_idx

const int *	vs_types
	Virtual site frame types.

const T *	dim1
	Frame dimension 1.

const T *	dim2
	Frame dimension 2.

const T *	dim3
	Frame dimension 3.

Detailed Description

template<typename T>
struct stormm::energy::VirtualSiteKit< T >

Information needed for the placement of virtual sites and transmission of forces on these sites to their frame atoms which have mass.

Member Data Documentation

template<typename T>

Parameter indices for each virtual site, offering the correct elements of vs_types, dim1, dim2, and dim3 to access in order to understand the frame

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