rename carthesian q components

sasmodels/models/lib/magnetic_functions.c

@@ -8,7 +8,7 @@ static double langevin(
 
     if (x < 0.00001) {
         // avoid dividing by zero
-        return 1.0/3.0*x;
+        return 1.0/3.0*x-1.0/45.0 * pow(x, 3) + 2.0/945.0 * pow(x, 5) - 1.0/4725.0 * pow(x, 7);
     } else {
         return 1.0/tanh(x)-1/x;
     }
@@ -21,7 +21,7 @@ static double langevinoverx(
 
     if (x < 0.00001) {
         // avoid dividing by zero
-        return 1.0/3.0;
+        return 1.0/3.0-1.0/45.0 * pow(x, 2) + 2.0/945.0 * pow(x, 4) - 1.0/4725.0 * pow(x, 6);
     } else {
         return langevin(x)/x;
     }
@@ -84,7 +84,7 @@ static void set_weights(double in_spin, double out_spin, double weight[8]) //fro
 //Evaluating the magnetic scattering vector (Halpern Johnson vector) for general orientation of q and collecting terms for the spin-resolved (POLARIS) cross sections. Mz is along the applied magnetic field direction, which is also the polarisation direction.
 static void mag_sld(
    // 0=dd.real, 1=dd.imag, 2=uu.real, 3=uu.imag,  4=du.real, 5=du.imag,  6=ud.real, 7=ud.imag
- double x, double y, double z,
+ double qx, double qy, double qz,
   double mxreal, double mximag, double myreal,  double myimag, double mzreal,double mzimag, double nuc, double sld[8])
 {
   double vector[3];
@@ -100,8 +100,8 @@ static void mag_sld(
   double Mperpreal[3];
   double Mperpimag[3];
 
-  const double q = sqrt(x*x + y*y + z*z);
-  SET_VEC(vector, x/q, y/q, z/q); 
+  const double q = sqrt(qx*qx + qy*qy + qz*qz);
+  SET_VEC(vector, qx/q, qy/q, qz/q); 
 
   //Moon-Riste-Koehler notation choose z as pointing along field/polarisation axis
   //totally different to what is used in SASview (historical reasons)

sasmodels/models/micromagnetic_FF_3D.c

@@ -46,31 +46,31 @@ static double reduced_field(double q, double Ms, double Hi,
 //the two transversal magnetisation components, reacting to a magnetic field.
 //The micromagnetic solution for the magnetisation are from Michels et al. PRB 94, 054424 (2016).
 
-static double fqMxreal( double x, double y, double z, double Mz, double Hkx, double Hky, double Hi, double Ms, double A, double D)
+static double fqMxreal( double qx, double qy, double qz, double Mz, double Hkx, double Hky, double Hi, double Ms, double A, double D)
 {
-  const double q = sqrt(x*x + y*y + z*z); 
-  const double f = reduced_field(q, Ms, Hi, A)*(Hkx*(1.0+reduced_field(q, Ms, Hi, A)*y*y/q/q)-Ms*Mz*x*z/q/q*(1.0+reduced_field(q, Ms, Hi, A)*DMI_length(Ms, D,q)*DMI_length(Ms, D,q))-Hky*reduced_field(q, Ms, Hi, A)*x*y/q/q)/(1.0+reduced_field(q, Ms, Hi, A)*(x*x+y*y)/q/q-square(reduced_field(q, Ms, Hi, A)*DMI_length(Ms, D,z)));
+  const double q = sqrt(qx*qx + qy*qy + qz*qz); 
+  const double f = reduced_field(q, Ms, Hi, A)*(Hkx*(1.0+reduced_field(q, Ms, Hi, A)*qy*qy/q/q)-Ms*Mz*qx*qz/q/q*(1.0+reduced_field(q, Ms, Hi, A)*DMI_length(Ms, D,q)*DMI_length(Ms, D,q))-Hky*reduced_field(q, Ms, Hi, A)*qx*qy/q/q)/(1.0+reduced_field(q, Ms, Hi, A)*(qx*qx+qy*qy)/q/q-square(reduced_field(q, Ms, Hi, A)*DMI_length(Ms, D,qz)));
   return f;
 }
 
-static double fqMximag(double x, double y, double z, double Mz, double Hkx, double Hky, double Hi, double Ms, double A, double D)
+static double fqMximag(double qx, double qy, double qz, double Mz, double Hkx, double Hky, double Hi, double Ms, double A, double D)
 {
-  const double q = sqrt(x*x + y*y + z*z);   
-  const double f = -reduced_field(q, Ms, Hi, A)*(Ms*Mz*(1.0+reduced_field(q, Ms, Hi, A))*DMI_length(Ms, D,y)+Hky*reduced_field(q, Ms, Hi, A)*DMI_length(Ms, D,z))/(1.0+reduced_field(q, Ms, Hi, A)*(x*x+y*y)/q/q -square(reduced_field(q, Ms, Hi, A)*DMI_length(Ms, D,z)));
+  const double q = sqrt(qx*qx + qy*qy + qz*qz);   
+  const double f = -reduced_field(q, Ms, Hi, A)*(Ms*Mz*(1.0+reduced_field(q, Ms, Hi, A))*DMI_length(Ms, D,qy)+Hky*reduced_field(q, Ms, Hi, A)*DMI_length(Ms, D,qz))/(1.0+reduced_field(q, Ms, Hi, A)*(qx*qx+qy*qy)/q/q -square(reduced_field(q, Ms, Hi, A)*DMI_length(Ms, D,qz)));
   return f;
 }
 
-static double fqMyreal( double x, double y, double z, double Mz, double Hkx, double Hky, double Hi, double Ms, double A, double D)
+static double fqMyreal( double qx, double qy, double qz, double Mz, double Hkx, double Hky, double Hi, double Ms, double A, double D)
 {
-  const double q = sqrt(x*x + y*y + z*z); 
-  const double f = reduced_field(q, Ms, Hi, A)*(Hky*(1.0+reduced_field(q, Ms, Hi, A)*x*x/q/q)-Ms*Mz*y*z/q/q*(1.0+reduced_field(q, Ms, Hi, A)*DMI_length(Ms, D,q)*DMI_length(Ms, D,q))-Hkx*reduced_field(q, Ms, Hi, A)*x*y/q/q)/(1.0+reduced_field(q, Ms, Hi, A)*(x*x+y*y)/q/q -square(reduced_field(q, Ms, Hi, A)*DMI_length(Ms, D,z)));
+  const double q = sqrt(qx*qx + qy*qy + qz*qz); 
+  const double f = reduced_field(q, Ms, Hi, A)*(Hky*(1.0+reduced_field(q, Ms, Hi, A)*qx*qx/q/q)-Ms*Mz*qy*qz/q/q*(1.0+reduced_field(q, Ms, Hi, A)*DMI_length(Ms, D,q)*DMI_length(Ms, D,q))-Hkx*reduced_field(q, Ms, Hi, A)*qx*qy/q/q)/(1.0+reduced_field(q, Ms, Hi, A)*(qx*qx+qy*qy)/q/q -square(reduced_field(q, Ms, Hi, A)*DMI_length(Ms, D,qz)));
   return f;
 }
 
-static double fqMyimag( double x, double y, double z, double Mz, double Hkx, double Hky, double Hi, double Ms, double A, double D)
+static double fqMyimag( double qx, double qy, double qz, double Mz, double Hkx, double Hky, double Hi, double Ms, double A, double D)
 {
-  const double q = sqrt(x*x + y*y + z*z);  
-  const double f = reduced_field(q, Ms, Hi, A)*(Ms*Mz*(1.0+reduced_field(q, Ms, Hi, A))*DMI_length(Ms, D,x)-Hkx*reduced_field(q, Ms, Hi, A)*DMI_length(Ms, D,z))/(1.0+reduced_field(q, Ms, Hi, A)*(x*x+y*y)/q/q -square(reduced_field(q, Ms, Hi, A)*DMI_length(Ms, D,z)));
+  const double q = sqrt(qx*qx + qy*qy + qz*qz);  
+  const double f = reduced_field(q, Ms, Hi, A)*(Ms*Mz*(1.0+reduced_field(q, Ms, Hi, A))*DMI_length(Ms, D,qx)-Hkx*reduced_field(q, Ms, Hi, A)*DMI_length(Ms, D,qz))/(1.0+reduced_field(q, Ms, Hi, A)*(qx*qx+qy*qy)/q/q -square(reduced_field(q, Ms, Hi, A)*DMI_length(Ms, D,qz)));
   return f;
 }
 

sasmodels/models/micromagnetic_FF_3D.py

@@ -166,6 +166,7 @@
 structure_factor = False
 have_Fq = False
 single=False
+opencl = False
 
 
 def random():