VelocityVerlet

class pymem3dg._core.VelocityVerlet

Velocity Verlet integration

Methods

VelocityVerlet.__init__(self, system, ...)	Velocity Verlet integrator constructor
VelocityVerlet.integrate(self)	integrate
VelocityVerlet.march(self)	stepping forward
VelocityVerlet.saveData(self, ...)	save data to output directory
VelocityVerlet.status(self)	status computation and thresholding
VelocityVerlet.step(self, n)	step for n iterations

Attributes

VelocityVerlet.c1	Wolfe condition parameter
VelocityVerlet.ifAdaptiveStep	option to scale time step according to mesh size
VelocityVerlet.ifOutputMeshFile	if output mesh file
VelocityVerlet.ifOutputTrajFile	if output trajectory file
VelocityVerlet.ifPrintToConsole	if print to console
VelocityVerlet.isBacktrack	whether do backtracking line search
VelocityVerlet.isCapEnergy	option to exit if exceed initial energy cap
VelocityVerlet.outputDirectory	collapse small triangles
VelocityVerlet.rho	backtracking coefficient
VelocityVerlet.trajFileName	name of the trajectory file