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19 lines
505 B
19 lines
505 B
import sys
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sys.path.append('../')
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from reeps import REEPS
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import json
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with open('one_comp_settings.txt') as file:
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testing_params = json.load(file)
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beaker = REEPS(**testing_params)
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minimizer_kwargs = {"method": 'SLSQP',
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"bounds": [(1e-1, 1e1)],
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"constraints": (),
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"options": {'disp': True, 'maxiter': 1000, 'ftol': 1e-6}}
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est_enthalpy = beaker.fit(minimizer_kwargs)
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print(est_enthalpy)
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beaker.update_xml(est_enthalpy)
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beaker.parity_plot()
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