Modified reeps to grab charge from REE in xml file for initial chlorine moles calculation

tests/test_reeps.py

@@ -5,8 +5,9 @@ sys.path.append('../')
 from reeps import REEPS
 
 
-with open('one_comp_settings.txt') as file:
+with open('one_ree_settings.txt') as file:
     testing_params = json.load(file)
+
 beaker = REEPS(**testing_params)
 
 minimizer_kwargs = {"method": 'SLSQP',
@@ -15,5 +16,7 @@ minimizer_kwargs = {"method": 'SLSQP',
                     "options": {'disp': True, 'maxiter': 1000, 'ftol': 1e-6}}
 est_enthalpy = beaker.fit(minimizer_kwargs)
 print(est_enthalpy)
+# info_dict = {"Nd(H(A)2)3(org)": {"h0": est_enthalpy}}
+#
 beaker.update_xml(est_enthalpy)
 beaker.parity_plot()