Struct lumol::sim::output::StressOutput

pub struct StressOutput { /* fields omitted */ }

The StressOutput writes the stress of the system to a text file, organized as: step stress.xx stress.yy stress.zz stress.xy stress.xz stress.yz.

Implementations

impl StressOutput

pub fn new<P>(filename: P) -> Result<StressOutput, Error> where
    P: AsRef<Path>, 

Create a new StressOutput writing to filename. The file is replaced if it already exists.

Trait Implementations

impl FromToml for StressOutput

pub fn from_toml(config: &Map<String, Value>) -> Result<StressOutput, Error>

Do the conversion from table to Self.

impl Output for StressOutput

pub fn setup(&mut self, &System)

Function called once at the beginning of the simulation, which allows for some setup of the output if needed.

pub fn write(&mut self, system: &System)

Write the output from the system.

fn finish(&mut self, &System)

Function called once at the end of the simulation.