Changeset 318

Timestamp:

03/26/08 10:47:28 (8 months ago)

Author:

powell

Message:

Turned coordT back into double, will cast for qhull when needed.

Location:

trunk/matml/src/ternary

Files:

• freenergy.c (modified) (1 diff)
• geomview.c (modified) (2 diffs)
• ternary.c (modified) (3 diffs)
• ternary.h (modified) (1 diff)

trunk/matml/src/ternary/freenergy.c

@@ -13 +13 @@
   This calculates the free energy.
 
-  coordT free_energy It returns the free energy.
+  double free_energy It returns the free energy.
 
-  coordT C2 Concentration of species 2.
+  double C2 Concentration of species 2.
 
-  coordT C3 Concentration of species 3.
+  double C3 Concentration of species 3.
 
-  coordT T Temperature (ignored for now).
+  double T Temperature (ignored for now).
   ++++++++++++++++++++++++++++++++++++++*/
 
-coordT free_energy (coordT C2, coordT C3, coordT T)
+double free_energy (double C2, double C3, double T)
 {
-  coordT C1 = (1.-C2-C3 < 0.) ? 0. : 1.-C2-C3;
-  coordT m1=1., m2=2., m3=5.;  /* Flory-Huggins "Degree of polymerization" */
-  coordT chi12 = -.5, chi13 = 2., chi23 = .2;      /* Interaction parameters */
+  double C1 = (1.-C2-C3 < 0.) ? 0. : 1.-C2-C3;
+  double m1=1., m2=2., m3=5.;  /* Flory-Huggins "Degree of polymerization" */
+  double chi12 = -.5, chi13 = 2., chi23 = .2;      /* Interaction parameters */
 
   return  ((C1==0.)?0.:C1/m1*log(C1)) + ((C2==0.)?0.:C2/m2*log(C2)) +
     ((C3==0.)?0.:C3/m3*log(C3)) +
-    chi12*C2*C1 + chi23*C2*C3 + chi13*C3*C1;
+    chi12*C2*C1 + chi13*C3*C1 + chi23*C2*C3;
 }

trunk/matml/src/ternary/geomview.c

@@ -71 +71 @@
   int npoints Number of points.
 
-  coordT *points Point coordinates and colors in a 7xN array: x,y,z,r,g,b,a.
+  double *points Point coordinates and colors in a 7xN array: x,y,z,r,g,b,a.
 
   int ntriangles Number of triangles.
@@ -79 +79 @@
 
 int GeomviewDisplayTriangleCOFF
-(FILE *geompipe, int npoints, coordT *points, int ntriangles, int *vertices)
+(FILE *geompipe, int npoints, double *points, int ntriangles, int *vertices)
 {
   int i;

trunk/matml/src/ternary/ternary.c

@@ -31 +31 @@
   char gv_version[100];
   FILE *pfd = NULL;
-  coordT Gmin, Gmax, *points;
+  double Gmin, Gmax, *points;
 
   if (argc>1)
@@ -37 +37 @@
 
   /* Allocate arrays for point coordinates and colors and triangle vertices */
-  if (!(points = calloc ((loop_max+1)*(loop_max+2)/2 * 7, sizeof (coordT))))
+  if (!(points = calloc ((loop_max+1)*(loop_max+2)/2 * 7, sizeof (double))))
     { printf ("Cannot allocate point coordinate array\n"); exit (1); }
 
@@ -57 +57 @@
         index = 7 * (ROWSTART (i) + j);
 
-        points [index] = (coordT)i/loop_max;
-        points [index+1] = (coordT)j/loop_max;
+        points [index] = (double)i/loop_max;
+        points [index+1] = (double)j/loop_max;
         points [index+2] = free_energy (points[index], points[index+1], 0.);
         Gmin = (points [index+2]<Gmin) ? points [index+2] : Gmin;

trunk/matml/src/ternary/ternary.h

@@ -12 +12 @@
 #include <qhull/qhull.h>
 
-coordT free_energy (coordT C2, coordT C3, realT T);
+double free_energy (double C2, double C3, realT T);
 
 int GeomviewBegin (FILE **geompipe, char *version);
 int GeomviewDisplayTriangleCOFF
-(FILE *geompipe, int npoints, coordT *points, int ntriangles, int *vertices);
+(FILE *geompipe, int npoints, double *points, int ntriangles, int *vertices);
 int GeomviewEnd (FILE **geompipe);