molsysmt.thirds.openmm.reporters.TQDMReporter#

class molsysmt.thirds.openmm.reporters.TQDMReporter(reportInterval, total_n_steps, potential_energy=True, temperature=True, volume=False)[source]#

OpenMM reporter that displays progress via tqdm.

__init__(reportInterval, total_n_steps, potential_energy=True, temperature=True, volume=False)[source]#

Methods

`__init__`(reportInterval, total_n_steps[, ...])
`describeNextReport`(simulation)
`finalize`(state)
`report`(simulation, state)