@@ -4683,16 +4683,6 @@ def average_kinetics(kinetics_list):
46834683 logA = 0.0
46844684 n = 0.0
46854685 Ea = 0.0
4686- alpha = 0.5
4687- electrons = None
4688- if isinstance (kinetics_list [0 ], SurfaceChargeTransfer ) or isinstance (kinetics_list [0 ], ArrheniusChargeTransfer ):
4689- if electrons is None :
4690- electrons = kinetics_list [0 ].electrons .value_si
4691- if not all (np .abs (k .V0 .value_si ) < 0.0001 for k in kinetics_list ):
4692- raise ValueError (f"Trying to average charge transfer rates with non-zero V0 values: { [k .V0 .value_si for k in kinetics_list ]} " )
4693- if not all (np .abs (k .alpha .value_si - 0.5 ) < 0.001 for k in kinetics_list ):
4694- raise ValueError (f"Trying to average charge transfer rates with alpha values not equal to 0.5: { [k .alpha for k in kinetics_list ]} " )
4695- V0 = 0.0
46964686 count = 0
46974687 for kinetics in kinetics_list :
46984688 count += 1
@@ -4702,7 +4692,6 @@ def average_kinetics(kinetics_list):
47024692
47034693 logA /= count
47044694 n /= count
4705- alpha /= count
47064695 Ea /= count
47074696 Aunits = kinetics_list [0 ].A .units
47084697 if Aunits == 'cm^3/(mol*s)' or Aunits == 'cm^3/(molecule*s)' or Aunits == 'm^3/(molecule*s)' :
@@ -4724,27 +4713,11 @@ def average_kinetics(kinetics_list):
47244713 else :
47254714 raise Exception ('Invalid units {0} for averaging kinetics.' .format (Aunits ))
47264715
4727- if type (kinetics ) not in [Arrhenius ,SurfaceChargeTransfer , ArrheniusChargeTransfer ]:
4716+ if type (kinetics ) not in [Arrhenius ,]:
47284717 raise Exception ('Invalid kinetics type {0!r} for {1!r}.' .format (type (kinetics ), self ))
47294718
4730- if isinstance (kinetics , SurfaceChargeTransfer ):
4731- averaged_kinetics = SurfaceChargeTransfer (
4732- A = (10 ** logA , Aunits ),
4733- n = n ,
4734- electrons = electrons ,
4735- alpha = alpha ,
4736- V0 = (V0 ,'V' ),
4737- Ea = (Ea * 0.001 , "kJ/mol" ),
4738- )
4739- elif isinstance (kinetics , ArrheniusChargeTransfer ):
4740- averaged_kinetics = ArrheniusChargeTransfer (
4741- A = (10 ** logA , Aunits ),
4742- n = n ,
4743- electrons = electrons ,
4744- alpha = alpha ,
4745- V0 = (V0 ,'V' ),
4746- Ea = (Ea * 0.001 , "kJ/mol" ),
4747- )
4719+ if False :
4720+ pass
47484721 else :
47494722 averaged_kinetics = Arrhenius (
47504723 A = (10 ** logA , Aunits ),
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