eonc::Matter::Impl Struct Reference

Public Attributes
AtomMatrix	positions {AtomMatrix::Zero(0, 3)}
AtomMatrix	velocities {AtomMatrix::Zero(0, 3)}
AtomMatrix	forces {AtomMatrix::Zero(0, 3)}
AtomMatrix	biasForces {AtomMatrix::Zero(0, 3)}
VectorXd	masses {VectorXd::Zero(0)}
VectorXi	atomicNrs {VectorXi::Zero(0)}
AtomMatrix	isFixed {AtomMatrix::Zero(0, 3)}
Eigen::Matrix< std::int64_t, Eigen::Dynamic, 1 >	atomIndex
AtomMatrix	freeMask
AtomMatrix	maskedForces
Matrix3d	cell {Matrix3d::Zero()}
Matrix3d	cellInverse {Matrix3d::Zero()}

Detailed Description

Definition at line 30 of file Matter.cpp.

Member Data Documentation

atomicNrs

VectorXi eonc::Matter::Impl::atomicNrs {VectorXi::Zero(0)}

Definition at line 36 of file Matter.cpp.

{VectorXi::Zero(0)};

atomIndex

Eigen::Matrix<std::int64_t, Eigen::Dynamic, 1> eonc::Matter::Impl::atomIndex

Definition at line 40 of file Matter.cpp.

biasForces

AtomMatrix eonc::Matter::Impl::biasForces {AtomMatrix::Zero(0, 3)}

Definition at line 34 of file Matter.cpp.

{AtomMatrix::Zero(0, 3)};

cell

Matrix3d eonc::Matter::Impl::cell {Matrix3d::Zero()}

Definition at line 43 of file Matter.cpp.

{Matrix3d::Zero()};

cellInverse

Matrix3d eonc::Matter::Impl::cellInverse {Matrix3d::Zero()}

Definition at line 44 of file Matter.cpp.

{Matrix3d::Zero()};

forces

AtomMatrix eonc::Matter::Impl::forces {AtomMatrix::Zero(0, 3)}

mutable

Definition at line 33 of file Matter.cpp.

{AtomMatrix::Zero(0, 3)};

freeMask

AtomMatrix eonc::Matter::Impl::freeMask

mutable

Definition at line 41 of file Matter.cpp.

isFixed

AtomMatrix eonc::Matter::Impl::isFixed {AtomMatrix::Zero(0, 3)}

Definition at line 38 of file Matter.cpp.

{AtomMatrix::Zero(0, 3)};

maskedForces

AtomMatrix eonc::Matter::Impl::maskedForces

mutable

Definition at line 42 of file Matter.cpp.

masses

VectorXd eonc::Matter::Impl::masses {VectorXd::Zero(0)}

Definition at line 35 of file Matter.cpp.

{VectorXd::Zero(0)};

positions

AtomMatrix eonc::Matter::Impl::positions {AtomMatrix::Zero(0, 3)}

Definition at line 31 of file Matter.cpp.

{AtomMatrix::Zero(0, 3)};

velocities

AtomMatrix eonc::Matter::Impl::velocities {AtomMatrix::Zero(0, 3)}

Definition at line 32 of file Matter.cpp.

{AtomMatrix::Zero(0, 3)};

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

• /home/runner/work/eOn/eOn/client/Matter.cpp