OpenMD::GBInteractionData Struct Reference

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 58 of file GB.hpp.

Member Data Documentation

dw

RealType OpenMD::GBInteractionData::dw

Definition at line 61 of file GB.hpp.

eps0

RealType OpenMD::GBInteractionData::eps0

Definition at line 60 of file GB.hpp.

i_is_LJ

bool OpenMD::GBInteractionData::i_is_LJ

Definition at line 68 of file GB.hpp.

j_is_LJ

bool OpenMD::GBInteractionData::j_is_LJ

Definition at line 69 of file GB.hpp.

sigma0

RealType OpenMD::GBInteractionData::sigma0

Definition at line 59 of file GB.hpp.

x2

RealType OpenMD::GBInteractionData::x2

Definition at line 62 of file GB.hpp.

xa2

RealType OpenMD::GBInteractionData::xa2

Definition at line 63 of file GB.hpp.

xai2

RealType OpenMD::GBInteractionData::xai2

Definition at line 64 of file GB.hpp.

xp2

RealType OpenMD::GBInteractionData::xp2

Definition at line 65 of file GB.hpp.

xpap2

RealType OpenMD::GBInteractionData::xpap2

Definition at line 66 of file GB.hpp.

xpapi2

RealType OpenMD::GBInteractionData::xpapi2

Definition at line 67 of file GB.hpp.

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

• nonbonded/GB.hpp