OpenMD::UFFAtypeParameters Struct Reference

Public Attributes
RealType	r1
RealType	theta0
RealType	x1
RealType	D1
RealType	zeta
RealType	Z1
RealType	Vi
RealType	Uj
RealType	Xi
RealType	Hard
RealType	Radius

Detailed Description

Definition at line 56 of file UFFAdapter.hpp.

Member Data Documentation

D1

RealType OpenMD::UFFAtypeParameters::D1

Definition at line 60 of file UFFAdapter.hpp.

Hard

RealType OpenMD::UFFAtypeParameters::Hard

Definition at line 66 of file UFFAdapter.hpp.

r1

RealType OpenMD::UFFAtypeParameters::r1

Definition at line 57 of file UFFAdapter.hpp.

Radius

RealType OpenMD::UFFAtypeParameters::Radius

Definition at line 67 of file UFFAdapter.hpp.

theta0

RealType OpenMD::UFFAtypeParameters::theta0

Definition at line 58 of file UFFAdapter.hpp.

Uj

RealType OpenMD::UFFAtypeParameters::Uj

Definition at line 64 of file UFFAdapter.hpp.

Vi

RealType OpenMD::UFFAtypeParameters::Vi

Definition at line 63 of file UFFAdapter.hpp.

x1

RealType OpenMD::UFFAtypeParameters::x1

Definition at line 59 of file UFFAdapter.hpp.

Xi

RealType OpenMD::UFFAtypeParameters::Xi

Definition at line 65 of file UFFAdapter.hpp.

Z1

RealType OpenMD::UFFAtypeParameters::Z1

Definition at line 62 of file UFFAdapter.hpp.

zeta

RealType OpenMD::UFFAtypeParameters::zeta

Definition at line 61 of file UFFAdapter.hpp.

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

• types/UFFAdapter.hpp