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[求助]
三核Gd的磁性拟合公式 (等腰三角形结构) 已有1人参与
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[General Information] Function Name = trinuclear Brief Description = Function Source = N/A Number Of Parameters = 10 Function Type = User-Defined Function Form = Equations Path = Number Of Independent Variables = 1 Number Of Dependent Variables = 1 Analytical Derivatives for User-Defined = 0 FunctionPrev = binuclear [Fitting Parameters] Names = n,S1,S2,S3,a,g,J1,zJ,Theta,TIP Initial Values = 2.5(V),2.5(V),2.5(V),1(V),2(V),1(V),1(V),1(V),1(V),--(V) Meanings = ?,?,?,?,?,?,?,?,?,? Lower Bounds = --(I, Off),--(I, Off),--(I, Off),--(I, Off),--(I, Off),--(I, Off),--(I, Off),--(I, Off),--(I, Off),--(I, Off) Upper Bounds = --(I, Off),--(I, Off),--(I, Off),--(I, Off),--(I, Off),--(I, Off),--(I, Off),--(I, Off),--(I, Off),--(I, Off) Naming Method = User-Defined Number Of Significant Digits = 0,0,0,0,0,0,0,0,0,0 Unit = ,,,,,,,,, [Independent Variables] T = [Dependent Variables] ChimT = [Formula] double k=0.69503887; double NB2=0.260727165; double x=1/(k*T); double S13; double St; double EST; double SS; double SSS; double up; double down; up=0; down=0; for (S13=abs(S1-S3);S13<=(S1+S3);S13=S13+1) { for (St=abs(S13-S2);St<=(S13+S2);St=St+1) { EST=J1*St*(St+1)+(a-1)*J1*S13*(S13+1); SS=2*St+1; SSS=St*(St+1)*(2*St+1); up=up+SSS*exp(EST*x); down=down+SS*exp(EST*x); } } double chi=n*NB2*g^2*up/(3*k*(T-Theta)*down); double chid=1/chi-2.0*zJ/(NB2*g^2); ChimT=T*(1/chid+TIP); [Constraints] [Initializations] [After Fitting] [Constants] [Controls] General Linear Constraints = 0 Initialization Scripts = 0 Scripts After Fitting = 0 Number Of Duplicates = N/A Duplicate Offset = N/A Duplicate Unit = N/A Generate Curves After Fitting = 1 Curve Point Spacing = Uniform on X-Axis Scale Generate Peaks After Fitting = 1 Generate Peaks During Fitting = 1 Generate Peaks with Baseline = 1 Paste Parameters to Plot After Fitting = 1 Paste Parameters to Notes Window After Fitting = 1 Generate Residuals After Fitting = 0 Keep Parameters = 0 Compile On Param Change Script = 1 Enable Parameters Initialization = 1 [Compile Function] Compile = 1 Compile Parameters Initialization = 1 OnParamChangeScriptsEnabled = 0. [Parameters Initialization] //Code to be executed to initialize parameters [Origin C Function Header] [Origin C Parameter Initialization Header] [Derived Parameter Settings] Unit = Names = Meanings = [References] [QuickCheck] T=300 n=1 S1=3.5 S2=3.5 S3=3.5 a=1 g=2 J1=0 zJ=0 Theta=0 TIP=0.001 copy到txt文档中，改扩展名为fdf，导入origin中。 |
2楼2014-07-22 21:28:18