CV:POS
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Definition
The absolute position of the point along z-axis.
The z-axis can be reoriented to any axis of the original coordinate system.
Specification
Section name: POS
Key | Type | Default | Description |
name | string | unique CV name | |
group_a | mask | atoms specifying the point A | |
direction | x, y, z | determine direction of z-axis in the native coordinate system |
Keys in bold are mandatory.