Changeset 361

Show
Ignore:
Timestamp:
04/17/08 17:16:32 (7 months ago)
Author:
powell
Message:

main() uses new "vectorized" free energy functions.

Files:
1 modified

Legend:

Unmodified
Added
Removed
  • trunk/matml/src/ternary/ternary.c

    r360 r361  
    6666 
    6767  /* Calculate free energies */ 
    68   for (index=0; index<(loop_max+1)*(loop_max+2)/2; index++) 
    69     points[index].G = 
    70       free_energy (points[index].C2, points[index].C3, T, 1., &eparams1); 
    71   for (index=(loop_max+1)*(loop_max+2)/2; 
    72        index<(loop_max+1)*(loop_max+2); index++) 
    73     points[index].G = 
    74       free_energy (points[index].C2, points[index].C3, T, 1., &eparams2); 
     68  if (i=free_energies (points, (loop_max+1)*(loop_max+2)/2, T, 1., &eparams1)) 
     69    { printf ("main: Error %d in free_energies\n", i); exit (i); } 
     70  if (i=free_energies (points+(loop_max+1)*(loop_max+2)/2, 
     71                       (loop_max+1)*(loop_max+2)/2, T, 1., &eparams2)) 
     72    { printf ("main: Error %d in free_energies\n", i); exit (i); } 
    7573 
    76   /* Scale all free energy values to (0->1) */ 
     74  /* Scale all free energy values */ 
    7775  if (i=scale_energy_array ((loop_max+1)*(loop_max+2), points, 
    7876                              0., -.2, 1., .9, NULL, NULL))