src/minimize_energy.jl

NLSolversBase.value!!

Force (re-)evaluation of the objective value at x. Returns f(x) and stores the value in obj.F also calculates the gradient and stores it in obj.DF

MEDYAN.minimize_energy!

minimize_energy!(c::Context)::MinimizeEnergyResults

Minimize mechanical energy of the context.

Keyword Arguments

  • check_closest_cylinders::Bool=true:

If true, the function will warn if two cylinders get too close during minimization.

  • brownian_motion_time::Float64=Inf: This parameter is used to simulate the effect

of Brownian motion over a certain period of time in seconds. It is currently experimental. By default, the effect of Brownian motion is ignored.

  • g_tol::Union{Float64, Nothing}=nothing: Overshadow the value of g_tol in c

This represents the acceptable maximum residual force on any degree of freedom in pN.