attrib
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Name

attrib — An attribute of a particle set.

Synopsis

Content Model

attrib ::= (#PCDATA)

Description

The attrib element contains the data for a particle attribute, such as position.

Processing expectations

Create a container for an attribute and assign the values. The size of the attribute container is set by the size of the parent particleset.

Parents

particleset, record

Children

#PCDATA

Attributes

name

Required, the name of the attribute of a particle set.

datatype

Required, the data type.

condition

Optional, the unit of the attribute.

size

Optional, the number of elements of the data type. Default is "-1", indicating that the size is set by its parent node.

src

Optional, an external source that stores the data.

role

Optional. (overwrite|append), The Default is to overwrite or create a new object, if the parent element is a builder object.

Implementation details

For position-type attributes, condition="unit" (or "1") means that the attribute is in the unit of a unitcell, while condition="cart" (or "0") means that the attribute is in the Cartesian unit. Default is condition="cart"

Examples

This example shows how to create a particle set for H2 molecule using attrib.

 <particleset name="H2" size="2">
    <attrib name="position" condition="cart" datatype="posArray"> 
      -1.0 0 0  
       1.0 0 0  
    </attrib>
    <attrib name="ionid" datatype="stringArray"> 
       H H
    </attrib>
 </particleset>
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