stormm::synthesis::VirtualSiteKit< T > Struct Template Reference

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

#include <atomgraph_abstracts.h>

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::synthesis::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

vs_param_idx

template<typename T>

const int* stormm::topology::VirtualSiteKit< T >::vs_param_idx

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

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

• src/Topology/atomgraph_abstracts.h