compute angle command
Syntax
compute ID group-ID angle
- ID, group-ID are documented in compute command
- angle = style name of this compute command
Examples
compute 1 all angle
Description
Define a computation that extracts the angle energy calculated by each of the angle sub-styles used in the “angle_style hybrid” angle_hybrid.html command. These values are made accessible for output or further processing by other commands. The group specified for this command is ignored.
This compute is useful when using angle_style hybrid if you want to know the portion of the total energy contributed by one or more of the hybrid sub-styles.
Output info:
This compute calculates a global vector of length N where N is the number of sub_styles defined by the angle_style hybrid command, which can be accessed by indices 1-N. These values can be used by any command that uses global scalar or vector values from a compute as input. See this section for an overview of LAMMPS output options.
The vector values are “extensive” and will be in energy units.
Restrictions
none