Integrators

Table 1 NVE methods.

Integrator	Availability
BEEMAN	8
VERLET	8/9
RESPA	8/9

Table 2 NVT methods and availabilities.

Integrator	Thermostat
BEEMAN 8 VERLET 8/9 RESPA 8/9	ANDERSEN 8 BERENDSEN 8 BUSSI 8/9 NOSE-HOOVER 8

Table 3 NPH methods and availabilities.

Integrator	Barostat
BEEMAN 8 VERLET 8/9 RESPA 8/9	BERENDSEN 8/9 MONTECARLO 8/9

Table 4 NPT methods and availabilities.

Integrator	Thermostat	Barostat
BEEMAN 8 VERLET 8/9 RESPA 8/9	ANDERSEN 8 BERENDSEN 8 BUSSI 8/9 NOSE-HOOVER 8	BERENDSEN 8/9 MONTECARLO 8/9
VERLET 8/9 RESPA 8/9	(Built-in)	LANGEVIN 9
BUSSI 8	(Built-in)	(Built-in)
NOSE-HOOVER 8/9	(Built-in)	(Built-in)
LANGEVIN PISTON 9	(Built-in)	(Built-in)

Integrators that need documentation are:

• BAOAB

• GHMC

• STOCHASTIC

• RIGIDBODY

• Velocity Verlet and RESPA Integrators
• Nosé–Hoover Chain Integrator (NPT)
• Langevin Piston Integrator (NPT)
  • Implementation 1
  • Implementation 2

Features & Methods Velocity Verlet and RESPA Integrators