INTEGRATOR_REGISTRY

torch_sim.runners.INTEGRATOR_REGISTRY = {Integrator.npt_langevin: (<function npt_langevin_init>, <function npt_langevin_step>), Integrator.npt_nose_hoover: (<function npt_nose_hoover_init>, <function npt_nose_hoover_step>), Integrator.nve: (<function nve_init>, <function nve_step>), Integrator.nvt_langevin: (<function nvt_langevin_init>, <function nvt_langevin_step>), Integrator.nvt_nose_hoover: (<function nvt_nose_hoover_init>, <function nvt_nose_hoover_step>)}

dict() -> new empty dictionary dict(mapping) -> new dictionary initialized from a mapping object’s

(key, value) pairs

dict(iterable) -> new dictionary initialized as if via:

d = {} for k, v in iterable:

d[k] = v

dict(**kwargs) -> new dictionary initialized with the name=value pairs

in the keyword argument list. For example: dict(one=1, two=2)