Crate velvet_core

Core feature library for the Velvet simulation engine.

Internal unit system:

• Distance - Angstrom (A)
• Time - Femtosecond (fs)
• Mass - Atomic mass unit (amu)
• Temperature - Kelvin (K)
• Quantity - Number of particles
• Angle - Radians (rad)

Modules

config	User defined configuration options.
constants	Useful physical constants expressed in the internal unit system.
integrators	Algorithms to integrate classical equations of motion.
outputs
potentials	Classical interatomic potential functions.
prelude
propagators
properties	Physical properties of the simulated system.
simulation
system	Data structures to hold physical information about the simulation environment.
thermostats	Algorithms to control the temperature of a simulation.
velocity_distributions	Statistical distribution algorithms.