anonymous_namespace{edsam.cpp}::t_edvecs Struct Reference

Collaboration diagram for anonymous_namespace{edsam.cpp}::t_edvecs:

Description

Essential dynamics vectors per method implementation.

Public Attributes
t_eigvec	mon = {}
	only monitored, no constraints
t_eigvec	linfix = {}
	fixed linear constraints
t_eigvec	linacc = {}
	acceptance linear constraints
t_eigvec	radfix = {}
	fixed radial constraints (exp)
t_eigvec	radacc = {}
	acceptance radial constraints (exp)
t_eigvec	radcon = {}
	acceptance rad. contraction constr.

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

• src/gromacs/essentialdynamics/edsam.cpp