Frequently Asked Questions¶
Frequently Asked Questions:
- Dynamics
- How do I…
- … run dynamics for a given number of steps?
- … run dynamics indefinitely?
- … throttle the speed of the dynamics?
- … do something at the start of every step?
- … do something after each step?
- … reset the simulation to its original state?
- … get how many picoseconds have elapsed in the simulation?
- … get or set the timestep of the simulation?
- … get properties of the simulation?
- … redistribute velocities using Maxwell-Boltzmann?
- How do I…
- How do I…
- Servers and Sessions
- How do I…
- … start a new session?
- … show dynamics through a session?
- … show a frame through a session?
- … change what a session is showing?
- … play, pause or restart what the session is showing?
- … close a session?
- … find out the address and port of the session?
- … choose what port to run on?
- … use a random port?
- … check why my session is broken?
- How do I…
- Shared State
- Using with ASE
- Using with OpenMM
- Using with RDKit
- Using with LAMMPS
- Using with nglview
- Maths & Physics
- How do I…
- … easily create a vector?
- … take dot products of two vectors (or sets of vectors)?
- … take cross products of two vectors (or arrays of vectors)?
- … get the magnitude of a vector (or array of vectors)?
- … normalize vectors or quaternions?
- … project one vector onto another?
- … reject one vector from another?
- … get the distance between two points?
- … get the angle between two vectors?
- How do I…