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List of all members | Public Attributes
gmx::Task Struct Reference

Description

Unit of work within LINCS.

Public Attributes

int b0 = 0
 First constraint for this task.
 
int b1 = 0
 b1-1 is the last constraint for this task.
 
int ntriangle = 0
 The number of constraints in triangles.
 
int * triangle = nullptr
 The list of triangle constraints.
 
int * tri_bits = nullptr
 The bits tell if the matrix element should be used.
 
int tri_alloc = 0
 Allocation size of triangle and tri_bits.
 
int nind = 0
 Number of indices.
 
int * ind = nullptr
 Constraint index for updating atom data.
 
int nind_r = 0
 Number of indices.
 
int * ind_r = nullptr
 Constraint index for updating atom data.
 
int ind_nalloc = 0
 Allocation size of ind and ind_r.
 
tensor vir_r_m_dr = {{0}}
 Temporary variable for virial calculation.
 
real dhdlambda
 Temporary variable for lambda derivative.
 

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