Documentation ¶
Index ¶
- func KineticEnergy(v r3.Vector, m float64) float64
- func NormaliseHistogram(dr, rho float64, bins, N, T, sample int, H []float64) (rdf, rad []float64)
- func PairwiseLennardJonesPotential(Ri, Rj r3.Vector, L float64) float64
- func PrepareHistogram(r_max, L, dr float64) (H []float64, bins int)
- func Temperature(V []r3.Vector, m float64, N int) float64
- func TotalEnergy(Rs, Vs []r3.Vector, L, M float64) (sum float64)
- func TotalKineticEnergy(V []r3.Vector, m float64) (sum float64)
- func TotalPotentialEnergy(Rs []r3.Vector, L float64) (sum float64)
- func UpdateHistogram(R []r3.Vector, r_max, L, dr float64, H []float64)
Constants ¶
This section is empty.
Variables ¶
This section is empty.
Functions ¶
func KineticEnergy ¶
KineticEnergy calculates the kinetic energy of a particle.
func NormaliseHistogram ¶
func PairwiseLennardJonesPotential ¶
PairwiseLennardJonesPotential calculates the Lennard Jones potential between two positions.
func PrepareHistogram ¶
func Temperature ¶
Temperature calculates the temperature of the system from the average kinetic energy of the particles.
func TotalEnergy ¶
TotalEnergy calculates the total energy of the system.
func TotalKineticEnergy ¶
TotalKineticEnergy calculates the kinetic energy of all particles in the system.
func TotalPotentialEnergy ¶
TotalPotentialEnergy calculates the potential energy of the system due to pairwise particle interactions.
Types ¶
This section is empty.
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