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VsiteThread Struct Reference
+ Collaboration diagram for VsiteThread:

Description

Vsite thread task data structure.

Public Member Functions

 VsiteThread ()
 Constructor.
 

Public Attributes

int rangeStart
 Start of atom range of this task.
 
int rangeEnd
 End of atom range of this task.
 
t_ilist ilist [F_NRE]
 The interaction lists, only vsite entries are used.
 
rvec fshift [((2 *1+1)*(2 *1+1)*(2 *2+1))]
 Local fshift accumulation buffer.
 
matrix dxdf
 Local virial dx*df accumulation buffer.
 
bool useInterdependentTask
 Tells if interdependent task idTask should be used (in addition to the rest of this task), this bool has the same value on all threads.
 
InterdependentTask idTask
 Data for vsites that involve constructing atoms in the atom range of other threads/tasks.
 

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