OpenMD 3.0
Molecular Dynamics in the Open
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Public Member Functions | List of all members
OpenMD::SCDElem Class Reference

Public Member Functions

 SCDElem (SimInfo *info, const std::string &sele1, const std::string &sele2, const std::string &sele3)
 
std::string getSelection1 () const
 
std::string getSelection2 () const
 
std::string getSelection3 () const
 
RealType calcSCD (Snapshot *snapshot)
 

Detailed Description

Definition at line 57 of file SCDOrderParameter.hpp.

Constructor & Destructor Documentation

◆ SCDElem()

OpenMD::SCDElem::SCDElem ( SimInfo * info,
const std::string & sele1,
const std::string & sele2,
const std::string & sele3 )

Definition at line 57 of file SCDOrderParameter.cpp.

Member Function Documentation

◆ calcSCD()

RealType OpenMD::SCDElem::calcSCD ( Snapshot * snapshot)

Definition at line 132 of file SCDOrderParameter.cpp.

◆ getSelection1()

std::string OpenMD::SCDElem::getSelection1 ( ) const
inline

Definition at line 62 of file SCDOrderParameter.hpp.

◆ getSelection2()

std::string OpenMD::SCDElem::getSelection2 ( ) const
inline

Definition at line 63 of file SCDOrderParameter.hpp.

◆ getSelection3()

std::string OpenMD::SCDElem::getSelection3 ( ) const
inline

Definition at line 64 of file SCDOrderParameter.hpp.

The documentation for this class was generated from the following files: