Model (relentless.model)#

Thermodynamics#

Ensemble(T, N[, V, P])

Thermodynamic ensemble.

RDF(r, g)

Radial distribution function.

Extents#

Three-dimensional#

TriclinicBox(Lx, Ly, Lz, xy, xz, yz[, ...])

Triclinic box.

Cuboid(Lx, Ly, Lz)

Orthorhombic box.

Cube(L)

Cubic box.

Two-dimensional#

ObliqueArea(Lx, Ly, xy[, convention])

Oblique area.

Rectangle(Lx, Ly)

Rectangle box.

Square(L)

Square box.

Variables#

IndependentVariable(value[, low, high, name])

Independent quantity.

DependentVariable(*vardicts, **kwvars)

Dependent quantity.

ArithmeticMean(a, b)

Arithmetic mean of two values.

GeometricMean(a, b)

Geometric mean of two values.

Developer classes#

Extents#

Extent()

Abstract base class defining a region of space.

Area()

Two-dimensional region of space.

Volume()

Three-dimensional region of space.

Variables#

Variable([name])

Abstract base class for a variable.

Constant(value[, name])

Constant value.

variable.VariableGraph()

Directed graph of variables and dependencies.