Changeset 443

Timestamp:

03/16/2009 08:48:37 PM (3 years ago)

Author:

powell

Message:

New rectangle bookkeeping functions.

Location:

trunk/matml/src/ternary

Files:

• book.c (modified) (2 diffs)
• ChangeLog (modified) (1 diff)
• freenergy.c (modified) (2 diffs)

trunk/matml/src/ternary/book.c

@@ -86 +86 @@
 
 /*++++++++++++++++++++++++++++++++++++++
+  This initializes the compositions
+  +latex+$C_2$ and $C_3$
+  -latex-C2 and C3
+  in an array of points filling a rectangle between (A2,A3), (B2,B3) in
+  composition space.  It also sets the
+  +latex+{\tt efunc}, $T$ and $P$
+  +html+ <tt>efunc</tt>, <i>T</i> and <i>P</i>
+  fields of each point to -1 to indicate that free energies and derivatives are
+  not yet calculated.  This is of course trivial compared with the triangle
+  case.
+
+  int init_rect_array It returns zero or an error code.
+
+  int res2 Resolution of the discretization (number of intervals) in the
+  +latex+$C_2$-direction.
+  -latex-C2-direction.
+
+  int res3 Resolution of the discretization (number of intervals) in the
+  +latex+$C_3$-direction.
+  -latex-C3-direction.
+
+  ternary_point *points Array of ternary points of size
+  +latex+({\tt res2}+1)$\times$({\tt res3}+1).
+  -latex-(res2+1) * (res3+1).
+
+  int efunc Energy function index indicating which energy curve this point will
+  be on.
+
+  double A2 Minimum value of
+  +latex+$C_2$.
+  -latex-C2.
+
+  double A3 Minimum value of
+  +latex+$C_3$.
+  -latex-C3.
+
+  double B2 Maximum value of
+  +latex+$C_2$.
+  -latex-C2.
+
+  double B3 Maximum value of
+  +latex+$C_3$.
+  -latex-C3.
+  ++++++++++++++++++++++++++++++++++++++*/
+
+int init_rectangle_array
+(int res2, int res3, ternary_point *points, int efunc,
+ double A2, double A3, double B2, double B3)
+{
+  int i,j;
+
+  for (i=0; i<=res2; i++)
+    for (j=0; j<=res3; j++)
+      {
+        points [j*(res2+1)+i].C2 = A2 + (B2-A2) * ((double) i/res2);
+        points [j*(res2+1)+i].C3 = A3 + (B3-A3) * ((double) j/res3);
+        points [j*(res2+1)+i].efunc = efunc;
+        points [j*(res2+1)+i].T = points [j*res2+i].P = -1;
+      }
+
+  return 0;
+}
+
+
+/*++++++++++++++++++++++++++++++++++++++
   This function fills an array with vertex indices.
 
   int init_triangle_vertices It returns zero or an error code.
 
-  int resolution Resolution of the discretization (number of points on a side).
+  int resolution Resolution of the discretization (number of intervals on a
+  side).
 
   int *vertex_array Array of triangle indices of size
@@ -125 +191 @@
   vertex_array [3*index+1] = offset + ROWSTART(resolution-1)+1;
   vertex_array [3*index+2] = offset + ROWSTART(resolution);
+
+  return 0;
+}
+
+
+/*++++++++++++++++++++++++++++++++++++++
+  This function fills an array with triangle vertex indices, two triangles per
+  rectangular cell.
+
+  int init_rectangle_vertices It returns zero or an error code.
+
+  int res2 Resolution of the discretization (number of intervals) in the
+  +latex+$C_2$-direction.
+  -latex-C2-direction.
+
+  int res3 Resolution of the discretization (number of intervals) in the
+  +latex+$C_3$-direction.
+  -latex-C3-direction.
+
+  int *vertex_array Array of triangle indices of size
+  +latex+2$\times${\tt res2$\times$res3}.
+  -latex-2 * res2 * res3.
+
+  int offset Constant to add to vertex indices, usually 0.
+  ++++++++++++++++++++++++++++++++++++++*/
+
+int init_rectangle_vertices (int res2, int res3, int *vertex_array, int offset)
+{
+  int i,j;
+
+  for (i=0; i<res2; i++)
+    for (j=0; j<res3; j++)
+      {
+        vertex_array [(j*res2+i)*6]   = offset + j*(res2+1)+i;
+        vertex_array [(j*res2+i)*6+1] = offset + j*(res2+1)+i+1;
+        vertex_array [(j*res2+i)*6+2] = offset + (j+1)*(res2+1)+i;
+
+        vertex_array [(j*res2+i)*6+3] = offset + j*(res2+1)+i+1;
+        vertex_array [(j*res2+i)*6+4] = offset + (j+1)*(res2+1)+i+1;
+        vertex_array [(j*res2+i)*6+5] = offset + (j+1)*(res2+1)+i;
+      }
 
   return 0;

trunk/matml/src/ternary/ChangeLog

@@ -12 +12 @@
   * Added spinodal.c with calc_spinodal function returning a phase_boundary.
   * New "square" free energy parameters for pseudo-square representation.
+  * Rectangle bookkeeping functions complete square functionality.
 
  --

trunk/matml/src/ternary/freenergy.c

@@ -212 +212 @@
     eparams->R*T*(((C2+C3>=1) ? LOCAL_INFINITY : eparams->S1/C1)
                   + ((C2<=0.) ? LOCAL_INFINITY : eparams->S2/C2)
-                  + ((C2>=1.) ? LOCAL_INFINITY :
-                     eparams->S4/(1.-C2)))
+                  + ((C2>=1.) ? LOCAL_INFINITY : eparams->S4/(1.-C2)))
     - eparams->Omega12*2 - eparams->Omega123*2*C3;
 }
@@ -258 +257 @@
     eparams->R*T*(((C2+C3>=1) ? LOCAL_INFINITY : eparams->S1/C1)
                   + ((C3<=0.) ? LOCAL_INFINITY : eparams->S3/C3)
-                  + ((C3>=1.) ? LOCAL_INFINITY :
-                     eparams->S5/(1.-C3)))
+                  + ((C3>=1.) ? LOCAL_INFINITY : eparams->S5/(1.-C3)))
     - eparams->Omega13*2 - eparams->Omega123*2*C2;
 }