improve mc

Author: Weiwei Wang

examples/mc/skx.py

@@ -17,8 +17,8 @@ def run(mesh):
 
     mc = MonteCarlo(mesh, name='test1')
     mc.set_m(init_m)
-    mc.set_options(H=[0,0,2e-2], J=50.0, D=0.18*50, T=10)
-    mc.run(steps=100)
+    mc.set_options(H=[0,0,2e-2], J=50.0, D=0.18*50, T=20.0)
+    mc.run(steps=200)
 
 
 if __name__=='__main__':

fidimag/atomistic/lib/clib.h

@@ -8,6 +8,10 @@
 
 #define WIDE_PI 3.1415926535897932384626433832795L
 
+double single_random(void);
+void gauss_random_vec(double *x, int n);
+void random_spin_uniform(double *spin, int n);
+
 /* 3 components for the cross product calculations */
 inline double cross_x(double a0, double a1, double a2,
                       double b0, double b1, double b2) { return a1 * b2 - a2 * b1; }
@@ -84,5 +88,9 @@ void compute_px_py_c(double *spin, int nx, int ny, int nz,
 void llg_rhs_dw_c(double *m, double *h, double *dm, double *T, double *alpha, 
                   double *mu_s_inv, int *pins, double *eta, int n, double gamma, double dt);
 
+//======================================================================
+void run_step_mc(double *spin, double *new_spin, int *ngbs, double J, double D, double *h, int n, double T);
+
+
 
 #endif

fidimag/atomistic/lib/clib.pyx

@@ -7,6 +7,7 @@ cdef extern from "clib.h":
     double single_random()
     void gauss_random_vec(double *x, int n)
     void random_spin_uniform(double *spin, int n)
+    void run_step_mc(double *spin, double *new_spin, int *ngbs, double J, double D, double *h, int n, double T)
 
     double skyrmion_number(double *spin, double *charge,
                            int nx, int ny, int nz, int *ngbs)
@@ -267,6 +268,13 @@ def random_number():
     cdef double res = single_random()
     return res
 
+def run_mc_step(np.ndarray[double, ndim=1, mode="c"] spin,
+                np.ndarray[double, ndim=1, mode="c"] new_spin,
+                np.ndarray[int, ndim=2, mode="c"] ngbs,
+                J, D, np.ndarray[double, ndim=1, mode="c"] h,
+                n, T):
+    run_step_mc(&spin[0], &new_spin[0], &ngbs[0,0], J, D, &h[0], n, T)
+
 
 def compute_llg_rhs_dw(np.ndarray[double, ndim=1, mode="c"] dm,
                 np.ndarray[double, ndim=1, mode="c"] spin,

fidimag/atomistic/lib/mc.c

@@ -7,7 +7,6 @@ void uniform_random_sphere(double *phi, double *ct, int n){
 	}
 }
 
-
 /*
  * n is the total spin number
  */
@@ -80,7 +79,6 @@ void run_step_mc(double *spin, double *new_spin, int *ngbs, double J, double D,
 
     random_spin_uniform(&new_spin[0], n);
 
-    
     double ed, r;
     int update=0;
     for(int i=0;i<n;i++){

fidimag/atomistic/mc.py

@@ -17,7 +17,7 @@ def __init__(self, mesh, name='unnamed'):
         self.n_nonzero = self.n
 
 
-        self.ngs = mesh.neighbours
+        self.ngbs = mesh.neighbours
 
         self._mu_s = np.zeros(self.n, dtype=np.float)
         self.spin = np.ones(3 * self.n, dtype=np.float)
@@ -51,12 +51,19 @@ def set_options(self, J=50.0, D=0, H=None, seed=100, T=10.0):
 
     def create_tablewriter(self):
 
-        self.saver = DataSaver(self, self.name + '.txt')
+        entities = {
+            'step': {'unit': '<>',
+                     'get': lambda sim: sim.step,
+                     'header': 'step'},
+            'm': {'unit': '<>',
+                  'get': lambda sim: sim.compute_average(),
+                  'header': ('m_x', 'm_y', 'm_z')},
+            'skx_num':{'unit': '<>', 
+                      'get': lambda sim: sim.skyrmion_number(), 
+                      'header': 'skx_num'}
+        }
 
-        self.saver.entities['skx_num'] = {
-            'unit': '<>', 
-		    'get': lambda sim: sim.skyrmion_number(), 
-		    'header': 'skx_num'}
+        self.saver = DataSaver(self, self.name + '.txt', entities=entities)
 
         self.saver.update_entity_order()
 
@@ -130,7 +137,8 @@ def run(self, steps=1000, save_m_steps=100, save_vtk_steps=100):
 
         for step in range(1, steps + 1):
             self.step = step
-            
+            clib.run_mc_step(self.spin, self.random_spin, self.ngbs,
+                self.J, self.D, self._H, self.n, self.T)
 
             self.saver.save()
 
@@ -141,7 +149,7 @@ def run(self, steps=1000, save_m_steps=100, save_vtk_steps=100):
                 if step % save_m_steps == 0:
                     self.save_m()
 
-    	    print(step)
+    	    print("step=%d, skyrmion number=%0.4g"%(self.step, self.skyrmion_number()))