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sef43 committed Jan 2, 2024
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"## Reporting Minimization\n",
"\n",
"You can report the status of [simulation.minimizeEnergy()](http://docs.openmm.org/latest/api-python/generated/openmm.app.simulation.Simulation.html?#openmm.app.simulation.Simulation.minimizeEnergy) using a [MinimizationReporter](http://docs.openmm.org/development/api-python/latest/openmm.openmm.MinimizationReporter.html). Note that `MinimizationReporter` was introduced in OpenMM 8.1.\n",
"You can report the status of [simulation.minimizeEnergy()](http://docs.openmm.org/latest/api-python/generated/openmm.app.simulation.Simulation.html?#openmm.app.simulation.Simulation.minimizeEnergy) using a [MinimizationReporter](http://docs.openmm.org/latest/api-python/generated/openmm.openmm.MinimizationReporter.html). Note that `MinimizationReporter` was introduced in OpenMM 8.1.\n",
"\n",
"The syntax for doing this is somewhat different to typical OpenMM functionality. You will need to define a subclass of `MinimizationReporter` that has a `report()` method. Within this report method you can write code to take any action you want. The report method is called every iteration of the minimizer. Read the [API documentation](http://docs.openmm.org/latest/api-python/generated/openmm.openmm.MinimizationReporter.html) for more explanation.\n",
"\n",
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