CASM
1.1.0
A Clusters Approach to Statistical Mechanics
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#include <LatticeIsEquivalent.hh>
Lattice comparisons.
Does comparisons of the form: copy_apply(A, lat) ?= copy_apply(B, other)*U,
where lat and other are lattices, represented as column matrices A & B are symmetry operations U is a unimodular (3x3, integer, w/ abs(det(T))==1) transformation matrix
Definition at line 25 of file LatticeIsEquivalent.hh.
Public Member Functions | |
LatticeIsEquivalent (const Lattice &_lat) | |
bool | operator() (const Lattice &other, double tol=-1.) const |
Checks if lat = other*U, with unimodular U. More... | |
Eigen::Matrix3d | U () const |
Returns U found for last check. More... | |
Private Attributes | |
Lattice | m_lat |
Eigen::Matrix3d | m_U |
CASM::xtal::LatticeIsEquivalent::LatticeIsEquivalent | ( | const Lattice & | _lat | ) |
Definition at line 10 of file LatticeIsEquivalent.cc.
bool CASM::xtal::LatticeIsEquivalent::operator() | ( | const Lattice & | other, |
double | tol = -1. |
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) | const |
Checks if lat = other*U, with unimodular U.
Checks if lat = other*U, with unimodular U, tolerance is relative, default tolerance is sentinal value to default to m_lat.tol()
Definition at line 13 of file LatticeIsEquivalent.cc.
Eigen::Matrix3d CASM::xtal::LatticeIsEquivalent::U | ( | ) | const |
Returns U found for last check.
Definition at line 20 of file LatticeIsEquivalent.cc.
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private |
Definition at line 37 of file LatticeIsEquivalent.hh.
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mutableprivate |
Definition at line 38 of file LatticeIsEquivalent.hh.