- Add molecular potentials: bonds, angles, dihedrals;
- Fix the unit conversion functions
Lot of internal changes in this release, with a few fixes.
- Separation of the Universe and Simulation types
- Separation of the PotentialFunction and PotentialComputation types
- Rewrote completely the Topology type
Initial release. Capacities included:
- Molecular dynamics with pair potentials;
- Verlet and VelocityVerlet integrator;
- Selection of algorithms for the simulation;
- VelocityRescale and Berendsen thermostats.