ParM  parm
A molecular dynamics library
Public Member Functions | Static Public Member Functions | Public Attributes | List of all members
DihedralGrouping Struct Reference

#include <interaction.hpp>

Public Member Functions

 DihedralGrouping (vector< flt > cos_coefficients, vector< flt > sincoeffs, AtomID a1, AtomID a2, AtomID a3, AtomID a4, bool usepow=true)

Static Public Member Functions

static Vec diff (Vec r1, Vec r2)

Public Attributes

Dihedral dih
AtomID a1
AtomID a2
AtomID a3
AtomID a4

Constructor & Destructor Documentation

DihedralGrouping::DihedralGrouping ( vector< flt cos_coefficients,
vector< flt sincoeffs,
AtomID  a1,
AtomID  a2,
AtomID  a3,
AtomID  a4,
bool  usepow = true 

Member Function Documentation

static Vec DihedralGrouping::diff ( Vec  r1,
Vec  r2 

Member Data Documentation

AtomID DihedralGrouping::a1
AtomID DihedralGrouping::a2
AtomID DihedralGrouping::a3
AtomID DihedralGrouping::a4
Dihedral DihedralGrouping::dih

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