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Helical Boundary Conditions
In mathematics, helical boundary conditions are a variation on periodic boundary conditions. Helical boundary conditions provide a method for determining the index of a lattice site's neighbours when each lattice site is indexed by just a single coordinate. On a lattice of dimension ''d'' where the lattice sites are numbered from 1 to ''N'' and ''L'' is the width (i.e. number of elements per row) of the lattice in all but the last dimension, the neighbors of site ''i'' are: * (i \pm 1) \mod N * (i \pm L) \mod N * \ldots * (i \pm L^) \mod N where the modulo operator In computing, the modulo operation returns the remainder or signed remainder of a division, after one number is divided by another (called the '' modulus'' of the operation). Given two positive numbers and , modulo (often abbreviated as ) is th ... is used. It is not necessary that ''N'' = ''L''''d''. Helical boundary conditions make it possible to use only one coordinate to describe arbitrary-dimensional ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Periodic Boundary Conditions
Periodic boundary conditions (PBCs) are a set of boundary conditions which are often chosen for approximating a large (infinite) system by using a small part called a ''unit cell''. PBCs are often used in computer simulations and mathematical models. The topology of two-dimensional PBC is equal to that of a ''world map'' of some video games; the geometry of the unit cell satisfies perfect two-dimensional tiling, and when an object passes through one side of the unit cell, it re-appears on the opposite side with the same velocity. In topological terms, the space made by two-dimensional PBCs can be thought of as being mapped onto a torus (compactification). The large systems approximated by PBCs consist of an infinite number of unit cells. In computer simulations, one of these is the original simulation box, and others are copies called ''images''. During the simulation, only the properties of the original simulation box need to be recorded and propagated. The ''minimum-image conventi ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Lattice (group)
In geometry and group theory, a lattice in the real coordinate space \mathbb^n is an infinite set of points in this space with the properties that coordinate wise addition or subtraction of two points in the lattice produces another lattice point, that the lattice points are all separated by some minimum distance, and that every point in the space is within some maximum distance of a lattice point. Closure under addition and subtraction means that a lattice must be a subgroup of the additive group of the points in the space, and the requirements of minimum and maximum distance can be summarized by saying that a lattice is a Delone set. More abstractly, a lattice can be described as a free abelian group of dimension n which spans the vector space \mathbb^n. For any basis of \mathbb^n, the subgroup of all linear combinations with integer coefficients of the basis vectors forms a lattice, and every lattice can be formed from a basis in this way. A lattice may be viewed as a regula ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Modulo Operation
In computing, the modulo operation returns the remainder or signed remainder of a division, after one number is divided by another (called the '' modulus'' of the operation). Given two positive numbers and , modulo (often abbreviated as ) is the remainder of the Euclidean division of by , where is the dividend and is the divisor. For example, the expression "5 mod 2" would evaluate to 1, because 5 divided by 2 has a quotient of 2 and a remainder of 1, while "9 mod 3" would evaluate to 0, because 9 divided by 3 has a quotient of 3 and a remainder of 0; there is nothing to subtract from 9 after multiplying 3 times 3. Although typically performed with and both being integers, many computing systems now allow other types of numeric operands. The range of values for an integer modulo operation of is 0 to inclusive ( mod 1 is always 0; is undefined, possibly resulting in a division by zero error in some programming languages). See Modular arithmetic for an older and related c ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
