compute angle command¶
compute ID group-ID angle
ID, group-ID are documented in compute command
angle = style name of this compute command
compute 1 all angle
Define a computation that extracts the angle energy calculated by each of the angle sub-styles used in the doc:angle_style hybrid <angle_hybrid> 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.
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 the Howto output doc page for an overview of LAMMPS output options.
The vector values are “extensive” and will be in energy units.