Changeset cd23f31 in sasmodels
 Timestamp:
 Sep 14, 2018 10:44:23 AM (4 days ago)
 Branches:
 ticket608userdefinedweights
 Children:
 a5516b1
 Parents:
 b50e28b
 File:

 1 edited
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example/weights/maier_saupe.py
rb50e28b rcd23f31 59 59 return 1.5*r  0.75/a  0.5 60 60 61 Given an order parameter $S = P_2(a)$, one can also solve for the 62 equivalent $a$: 63 64 from scipy.optimize import fsolve 65 66 def P_2_inv(S): 67 return fsolve(lambda x: P_2(x)  S, 1.0)[0] 68 61 69 References 62 70  … … 103 111 return 1.5*r  0.75/a  0.5 104 112 113 def P_2_inv(S): 114 from scipy.optimize import fsolve 115 return fsolve(lambda x: P_2(x)  S, 1.0)[0] 116 105 117 def P_2_numerical(a): 106 118 from scipy.integrate import romberg … … 116 128 a = float(sys.argv[1]) 117 129 #print("P_2", P_2(a), "difference from integral", P_2(a)  P_2_numerical(a)) 118 print("P_2 ", P_2(a))130 print("P_2, P_2_inv", P_2(a), P_2_inv(P_2(a)))
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