Time.h¶

Timekeeping variables such as Timestep and Frame.

Before any calculation occurs, multiple timesteps are averaged into a frame (as defined by Options::stepsPerFrame). The Timestep and Frame objects are declared here.

If the number of steps in the dumpfile is not divisible by Options::stepsPerFrame, then the last frame contains extra timesteps. Relevant quantities are stored in the LastFrame object.

struct Timestep¶

#include <Time.h>

A single timestep.

Public Functions

Timestep()¶

Public Members

int time¶: The timestep number from the LAMMPS dumpfile, corresponding to actual simulation time (generally in fs).

int stepNum¶

The index of the timestep.

e.g. 0, 1, 2 for the first three timesteps.

struct Frame¶

#include <Time.h>

Public Functions

Frame()¶

Public Members

int time¶: Timestep::time for the first timestep in the frame.

int frameNum¶

The index of the frame.

e.g. 0, 1, 2 for the first three frames.

int frameStep¶: Timestep::stepNum for the first timestep in the frame.

int stepsThisFrame¶

Number of steps in the current frame.

For all but the last frame, this is equal to Options::stepsPerFrame. For the last frame, it is equal to LastFrame::numSteps.

int atomsThisFrame¶

The number of atoms times the number of steps this frame.

Equal to numAtoms * stepsThisFrame

struct LastFrame¶

#include <Time.h>

If Options::stepsPerFrame does not evenly divide SimData::numSteps, then the last frame contains extra steps.

Public Functions

void setSteps(int numSteps, int stepsPerFrame)¶: Calculate and set the number of steps in the last frame.

Public Members

int extraSteps¶: Number of additional steps in the last frame.

int frameNum¶: Frame::frameNum for the last frame.

int numSteps¶

Number of steps in the last frame.

See: Frame::stepsThisFrame