integrators

package

v0.0.0-...-65a3d87 Latest Latest Go to latest Published: Jul 15, 2019 License: MIT Imports: 4 Imported by: 0

Details

Valid go.mod file

The Go module system was introduced in Go 1.11 and is the official dependency management solution for Go.
Redistributable license

Redistributable licenses place minimal restrictions on how software can be used, modified, and redistributed.
Tagged version

Modules with tagged versions give importers more predictable builds.
Stable version

When a project reaches major version v1 it is considered stable.
Learn more about best practices

Repository

github.com/comprhys/moldyn

Links

Open Source Insights

Documentation ¶

Overview ¶

Package verlet implements velocity verlet for stepwise Newtonian mechanics.

Index ¶

func LangevinStep(R, V []r3.Vector, L, M, dt float64, therm Thermostat) ([]r3.Vector, []r3.Vector)
func NextR(r, v r3.Vector, h float64) (nr r3.Vector)
func NextV(v, F r3.Vector, therm Thermostat) (nv r3.Vector)
func VerletNextR(r, v, a r3.Vector, h float64) (nr r3.Vector)
func VerletNextV(v, a1, a2 r3.Vector, h float64) (nv r3.Vector)
func VerletStep(R, V []r3.Vector, L, M, dt float64) ([]r3.Vector, []r3.Vector)
type Thermostat
- func PrepareLangevin(gamma, M, h, T0 float64, verlet bool) Thermostat
type VecReturn

Constants ¶

This section is empty.

Variables ¶

This section is empty.

Functions ¶

func LangevinStep ¶

func LangevinStep(R, V []r3.Vector, L, M, dt float64, therm Thermostat) ([]r3.Vector, []r3.Vector)

Implementation of first order langevin dynamics

func NextR ¶

func NextR(r, v r3.Vector, h float64) (nr r3.Vector)

NextR calculates the next position vector based on current position, velocity, and acceleration.

func NextV ¶

func NextV(v, F r3.Vector, therm Thermostat) (nv r3.Vector)

NextV calculates the next velocity vector based on current velocity and acceleration and future acceleration.

func VerletNextR ¶

func VerletNextR(r, v, a r3.Vector, h float64) (nr r3.Vector)

NextR calculates the next position vector based on current position, velocity, and acceleration.

func VerletNextV ¶

func VerletNextV(v, a1, a2 r3.Vector, h float64) (nv r3.Vector)

NextV calculates the next velocity vector based on current velocity and acceleration and future acceleration.

func VerletStep ¶

func VerletStep(R, V []r3.Vector, L, M, dt float64) ([]r3.Vector, []r3.Vector)

TimeStep evolves the system by one unit of time using the Velocity Verlet algorithm for molecular dynamics using channels to provide simple parallelisarion.

Types ¶

type Thermostat ¶

type Thermostat struct {
	// contains filtered or unexported fields
}

func PrepareLangevin ¶

func PrepareLangevin(gamma, M, h, T0 float64, verlet bool) Thermostat

type VecReturn ¶

type VecReturn struct {
	Index int
	// contains filtered or unexported fields
}

Source Files ¶

View all Source files

?	: This menu
/	: Search site
f or F	: Jump to
y or Y	: Canonical URL