2.2.3.2 compute pressure

compute pressure is used to calculate the pressure of the whole system.

Syntax:

• id: user assigned name for this fix
• group-id: the group-id has to be all

Examples:

Description:

This compute will calculate the pressure of the whole system by using Virial theorem.

Output:

The output is in the form of scalar. Results can be accessed by c_id in the thermo_modify custom command, where id is the compute id.