2.3.3.3.59. NXcg_grid

Status:

base class, extends NXcg_primitive_set

Description:

Computational geometry description of a grid of Wigner-Seitz cells in Euclidean ...

Computational geometry description of a grid of Wigner-Seitz cells in Euclidean space.

Three-dimensional grids with cubic cells are if not the most frequently used example of such grids. Examples of numerical methods where grids are used are spectral-solver based crystal plasticity or other stencil methods like phase-field or cellular automata.

Symbols:

The symbols used in the schema to specify e.g. dimensions of arrays.

d: The dimensionality of the grid.

c: The cardinality or total number of cells aka grid points.

n_b: Number of boundaries of the bounding box or primitive housing the grid.

Groups cited:

NXcg_polyhedron_set

Structure:

origin: (optional) NX_NUMBER (Rank: 1, Dimensions: [d]) {units=NX_ANY}

Location of the origin of the grid. ...

Location of the origin of the grid.

Use the depends_on field that is inherited from the NXcg_primitive_set class to specify the coordinate system in which the origin location is defined.

symmetry: (optional) NX_CHAR

The symmetry of the lattice defining the shape of the unit cell. ...

The symmetry of the lattice defining the shape of the unit cell.

Obligatory value: cubic

cell_dimensions: (optional) NX_NUMBER (Rank: 1, Dimensions: [d]) {units=NX_LENGTH}

The unit cell dimensions using crystallographic notation.

extent: (optional) NX_UINT (Rank: 1, Dimensions: [d]) {units=NX_UNITLESS}

Number of unit cells along each of the d unit vectors. ...

Number of unit cells along each of the d unit vectors.

The total number of cells or grid points has to be the cardinality. If the grid has an irregular number of grid positions in each direction, as it could be for instance the case of a grid where all grid points outside some masking primitive are removed, this extent field should not be used. Instead, use the coordinate field.

position: (optional) NX_NUMBER (Rank: 2, Dimensions: [c, d]) {units=NX_ANY}

Position of each cell in Euclidean space.

coordinate: (optional) NX_INT (Rank: 2, Dimensions: [c, d]) {units=NX_DIMENSIONLESS}

Coordinate of each cell with respect to the discrete grid.

number_of_boundaries: (optional) NX_INT {units=NX_UNITLESS}

Number of boundaries distinguished ...

Number of boundaries distinguished

Most grids discretize a cubic or cuboidal region. In this case six sides can be distinguished, each making an own boundary.

boundaries: (optional) NX_CHAR (Rank: 1, Dimensions: [n_b])

Name of domain boundaries of the simulation box/ROI ...

Name of domain boundaries of the simulation box/ROI e.g. left, right, front, back, bottom, top.

boundary_conditions: (optional) NX_INT (Rank: 1, Dimensions: [n_b]) {units=NX_UNITLESS}

The boundary conditions for each boundary: ...

The boundary conditions for each boundary:

0 - undefined 1 - open 2 - periodic 3 - mirror 4 - von Neumann 5 - Dirichlet

bounding_box: (optional) NXcg_polyhedron_set

A tight bounding box about the grid.

Hypertext Anchors

List of hypertext anchors for all groups, fields, attributes, and links defined in this class.

NXDL Source:

https://github.com/FAIRmat-NFDI/nexus_definitions/tree/fairmat/contributed_definitions/NXcg_grid.nxdl.xml