OpenMD  2.5
Molecular Dynamics in the Open
OpenMD::GBInteractionData Struct Reference

#include <GB.hpp>

Public Attributes

RealType sigma0
 
RealType eps0
 
RealType dw
 
RealType x2
 
RealType xa2
 
RealType xai2
 
RealType xp2
 
RealType xpap2
 
RealType xpapi2
 
bool i_is_LJ
 
bool j_is_LJ
 

Detailed Description

Definition at line 53 of file GB.hpp.

Member Data Documentation

◆ dw

RealType OpenMD::GBInteractionData::dw

Definition at line 56 of file GB.hpp.

Referenced by OpenMD::GB::addType(), and OpenMD::GB::calcForce().

◆ eps0

RealType OpenMD::GBInteractionData::eps0

Definition at line 55 of file GB.hpp.

Referenced by OpenMD::GB::addType(), and OpenMD::GB::calcForce().

◆ i_is_LJ

bool OpenMD::GBInteractionData::i_is_LJ

Definition at line 63 of file GB.hpp.

Referenced by OpenMD::GB::addType(), and OpenMD::GB::calcForce().

◆ j_is_LJ

bool OpenMD::GBInteractionData::j_is_LJ

Definition at line 64 of file GB.hpp.

Referenced by OpenMD::GB::addType(), and OpenMD::GB::calcForce().

◆ sigma0

RealType OpenMD::GBInteractionData::sigma0

Definition at line 54 of file GB.hpp.

Referenced by OpenMD::GB::addType(), and OpenMD::GB::calcForce().

◆ x2

RealType OpenMD::GBInteractionData::x2

Definition at line 57 of file GB.hpp.

Referenced by OpenMD::GB::addType(), and OpenMD::GB::calcForce().

◆ xa2

RealType OpenMD::GBInteractionData::xa2

Definition at line 58 of file GB.hpp.

Referenced by OpenMD::GB::addType(), and OpenMD::GB::calcForce().

◆ xai2

RealType OpenMD::GBInteractionData::xai2

Definition at line 59 of file GB.hpp.

Referenced by OpenMD::GB::addType(), and OpenMD::GB::calcForce().

◆ xp2

RealType OpenMD::GBInteractionData::xp2

Definition at line 60 of file GB.hpp.

Referenced by OpenMD::GB::addType(), and OpenMD::GB::calcForce().

◆ xpap2

RealType OpenMD::GBInteractionData::xpap2

Definition at line 61 of file GB.hpp.

Referenced by OpenMD::GB::addType(), and OpenMD::GB::calcForce().

◆ xpapi2

RealType OpenMD::GBInteractionData::xpapi2

Definition at line 62 of file GB.hpp.

Referenced by OpenMD::GB::addType(), and OpenMD::GB::calcForce().


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