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Atomic distributions in crystal structures solved by Boolean satisfiability techniques

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Boolean satisfiability problem

In logic and computer science, the Boolean satisfiability problem (sometimes called propositional satisfiability problem and abbreviated SATISFIABILITY, SAT or B-SAT) is the problem of determining if there exists an interpretation that satisfies a given Boolean formula. In other words, it asks whether the variables of a given Boolean formula can be consistently replaced by the values TRUE or FALSE in such a way that the formula evaluates to TRUE. If this is the case, the formula is called satisfiable.

Crystal structure

In crystallography, crystal structure is a description of the ordered arrangement of atoms, ions, or molecules in a crystalline material. Ordered structures occur from the intrinsic nature of the constituent particles to form symmetric patterns that repeat along the principal directions of three-dimensional space in matter. The smallest group of particles in the material that constitutes this repeating pattern is the unit cell of the structure.

2-satisfiability

In computer science, 2-satisfiability, 2-SAT or just 2SAT is a computational problem of assigning values to variables, each of which has two possible values, in order to satisfy a system of constraints on pairs of variables. It is a special case of the general Boolean satisfiability problem, which can involve constraints on more than two variables, and of constraint satisfaction problems, which can allow more than two choices for the value of each variable.

Normal distribution

In statistics, a normal distribution or Gaussian distribution is a type of continuous probability distribution for a real-valued random variable. The general form of its probability density function is The parameter is the mean or expectation of the distribution (and also its median and mode), while the parameter is its standard deviation. The variance of the distribution is . A random variable with a Gaussian distribution is said to be normally distributed, and is called a normal deviate.

NP-completeness

In computational complexity theory, a problem is NP-complete when: It is a decision problem, meaning that for any input to the problem, the output is either "yes" or "no". When the answer is "yes", this can be demonstrated through the existence of a short (polynomial length) solution. The correctness of each solution can be verified quickly (namely, in polynomial time) and a brute-force search algorithm can find a solution by trying all possible solutions.

True quantified Boolean formula

In computational complexity theory, the language TQBF is a formal language consisting of the true quantified Boolean formulas. A (fully) quantified Boolean formula is a formula in quantified propositional logic (also known as Second-order propositional logic) where every variable is quantified (or bound), using either existential or universal quantifiers, at the beginning of the sentence. Such a formula is equivalent to either true or false (since there are no free variables).

Stable distribution

In probability theory, a distribution is said to be stable if a linear combination of two independent random variables with this distribution has the same distribution, up to location and scale parameters. A random variable is said to be stable if its distribution is stable. The stable distribution family is also sometimes referred to as the Lévy alpha-stable distribution, after Paul Lévy, the first mathematician to have studied it. Of the four parameters defining the family, most attention has been focused on the stability parameter, (see panel).

Ratio distribution

A ratio distribution (also known as a quotient distribution) is a probability distribution constructed as the distribution of the ratio of random variables having two other known distributions. Given two (usually independent) random variables X and Y, the distribution of the random variable Z that is formed as the ratio Z = X/Y is a ratio distribution. An example is the Cauchy distribution (also called the normal ratio distribution), which comes about as the ratio of two normally distributed variables with zero mean.

Maximum satisfiability problem

In computational complexity theory, the maximum satisfiability problem (MAX-SAT) is the problem of determining the maximum number of clauses, of a given Boolean formula in conjunctive normal form, that can be made true by an assignment of truth values to the variables of the formula. It is a generalization of the Boolean satisfiability problem, which asks whether there exists a truth assignment that makes all clauses true. The conjunctive normal form formula is not satisfiable: no matter which truth values are assigned to its two variables, at least one of its four clauses will be false.

Cubic crystal system

In crystallography, the cubic (or isometric) crystal system is a crystal system where the unit cell is in the shape of a cube. This is one of the most common and simplest shapes found in crystals and minerals. There are three main varieties of these crystals: Primitive cubic (abbreviated cP and alternatively called simple cubic) Body-centered cubic (abbreviated cI or bcc) Face-centered cubic (abbreviated cF or fcc) Note: the term fcc is often used in synonym for the cubic close-packed or ccp structure occurring in metals.