The coordinate s = n . More...

#include <PIQTST.h>

Public Attributes
long	atoms {0}
std::vector< double >	masses
std::vector< int >	numbers
std::vector< char >	free
VectorXd	reference
VectorXd	direction
const double *	box {nullptr}

Detailed Description

The coordinate s = n .

M^(1/2) (x - reference), n a unit vector in mass-weighted coordinates (zero on fixed coordinates). The plane at s is the set of centroids with that value.

Definition at line 42 of file PIQTST.h.

Member Data Documentation

◆ atoms

long eonc::piqtst::Coordinate::atoms {0}

Definition at line 43 of file PIQTST.h.

43{0};

◆ box

const double* eonc::piqtst::Coordinate::box {nullptr}

Definition at line 49 of file PIQTST.h.

49{nullptr}; // 3 x 3 cell, or null

◆ direction

VectorXd eonc::piqtst::Coordinate::direction

Definition at line 48 of file PIQTST.h.

◆ free

std::vector<char> eonc::piqtst::Coordinate::free

Definition at line 46 of file PIQTST.h.

◆ masses

std::vector<double> eonc::piqtst::Coordinate::masses

Definition at line 44 of file PIQTST.h.

◆ numbers

std::vector<int> eonc::piqtst::Coordinate::numbers

Definition at line 45 of file PIQTST.h.

◆ reference

VectorXd eonc::piqtst::Coordinate::reference

Definition at line 47 of file PIQTST.h.

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

/home/runner/work/eOn/eOn/include/eon/PIQTST.h

Public Attributes