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Vector2.hpp
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/*
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* Copyright (c) 2004-present, The University of Notre Dame. All rights
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* reserved.
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*
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* Redistribution and use in source and binary forms, with or without
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* modification, are permitted provided that the following conditions are met:
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*
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* 1. Redistributions of source code must retain the above copyright notice,
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* this list of conditions and the following disclaimer.
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*
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* 2. Redistributions in binary form must reproduce the above copyright notice,
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* this list of conditions and the following disclaimer in the documentation
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* and/or other materials provided with the distribution.
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*
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* 3. Neither the name of the copyright holder nor the names of its
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* contributors may be used to endorse or promote products derived from
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* this software without specific prior written permission.
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*
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* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
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* AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
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* IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
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* ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE
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* LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR
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* CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF
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* SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS
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* INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN
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* CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE)
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* ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE
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* POSSIBILITY OF SUCH DAMAGE.
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*
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* SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your
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* research, please cite the following paper when you publish your work:
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*
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* [1] Drisko et al., J. Open Source Softw. 9, 7004 (2024).
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*
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* Good starting points for code and simulation methodology are:
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*
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* [2] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
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* [3] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
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* [4] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).
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* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
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* [6] Kuang & Gezelter, Mol. Phys., 110, 691-701 (2012).
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* [7] Lamichhane, Gezelter & Newman, J. Chem. Phys. 141, 134109 (2014).
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* [8] Bhattarai, Newman & Gezelter, Phys. Rev. B 99, 094106 (2019).
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* [9] Drisko & Gezelter, J. Chem. Theory Comput. 20, 4986-4997 (2024).
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*/
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#ifndef MATH_VECTOR2_HPP
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#define MATH_VECTOR2_HPP
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#include <cassert>
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#include <cmath>
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#include "
Vector.hpp
"
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namespace
OpenMD
{
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template
<
typename
Real>
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class
Vector2 :
public
Vector
<Real, 2> {
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public
:
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typedef
Real ElemType;
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typedef
Real* ElemPoinerType;
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Vector2() :
Vector<Real, 2>
() {}
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/** Constructs and initializes a Vector2 from x and y coordinates */
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inline
Vector2
(Real
x
, Real
y
) {
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this->data_[0] =
x
;
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this->data_[1] =
y
;
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}
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/** Constructs and initializes from an array*/
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inline
Vector2
(Real* array) :
Vector
<Real, 2>(array) {}
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inline
Vector2
(
const
Vector<Real, 2>
& v) :
Vector
<Real, 2>(v) {}
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inline
Vector2<Real>& operator=(
const
Vector<Real, 2>& v) {
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if
(
this
== &v) {
return
*
this
; }
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Vector<Real, 2>::operator=
(v);
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return
*
this
;
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}
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/**
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* Returns reference of the first element of Vector2.
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* @return reference of the first element of Vector2
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*/
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inline
Real&
x
() {
return
this->data_[0]; }
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/**
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* Returns the first element of Vector2.
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* @return the first element of Vector2
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*/
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inline
Real
x
()
const
{
return
this->data_[0]; }
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/**
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* Returns reference of the second element of Vector2.
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* @return reference of the second element of Vector2
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*/
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inline
Real&
y
() {
return
this->data_[1]; }
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/**
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* Returns the second element of Vector2.
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* @return c the second element of Vector2
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*/
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inline
Real
y
()
const
{
return
this->data_[1]; }
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};
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/**
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* Returns the linear indexing for size_t vectors. Compare to
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* Rapaport's VLinear
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*
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* @param p first vector
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* @param s second vector
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*/
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inline
std::size_t
Vlinear
(
const
Vector2<std::size_t>
& p,
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const
Vector2<std::size_t>
& s) {
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return
std::size_t(p.
y
() * s.
x
() + p.
x
());
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}
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typedef
Vector2<int> Vector2i;
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typedef
Vector2<RealType> Vector2d;
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const
Vector2d V2Zero(0.0, 0.0);
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const
Vector2d V2X(1.0, 0.0);
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const
Vector2d V2Y(0.0, 1.0);
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}
// namespace OpenMD
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#endif
Vector.hpp
OpenMD::Vector2
Definition
Vector2.hpp:59
OpenMD::Vector2::x
Real x() const
Returns the first element of Vector2.
Definition
Vector2.hpp:92
OpenMD::Vector2< int >::y
int & y()
Definition
Vector2.hpp:98
OpenMD::Vector2::Vector2
Vector2(Real *array)
Constructs and initializes from an array.
Definition
Vector2.hpp:72
OpenMD::Vector2::Vector2
Vector2(Real x, Real y)
Constructs and initializes a Vector2 from x and y coordinates.
Definition
Vector2.hpp:66
OpenMD::Vector2< int >::x
int & x()
Definition
Vector2.hpp:86
OpenMD::Vector2::y
Real y() const
Returns the second element of Vector2.
Definition
Vector2.hpp:104
OpenMD::Vector
Fix length vector class.
Definition
Vector.hpp:81
OpenMD::Vector::operator=
Vector< Real, Dim > & operator=(const Vector< Real, Dim > &v)
copy assignment operator
Definition
Vector.hpp:96
OpenMD::Vector< Real, 2 >::Vector
Vector()
Definition
Vector.hpp:87
OpenMD
This basic Periodic Table class was originally taken from the data.cpp file in OpenBabel.
Definition
ActionCorrFunc.cpp:63
OpenMD::Vlinear
std::size_t Vlinear(const Vector2< std::size_t > &p, const Vector2< std::size_t > &s)
Returns the linear indexing for size_t vectors.
Definition
Vector2.hpp:114
math
Vector2.hpp
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