| Commit | Date | |
|---|---|---|
| 
             
                
                [r17294]
                
                
                by 
        
  
    
   bugman
    
                 
          Added some print outs for the frame order target function set up. This make the optimisation more informative, giving feedback to the user about the integration  | 
          2012-07-23 10:03:51 | Tree | 
| 
             
                
                [r17293]
                
                
                by 
        
  
    
   bugman
    
                 
          Created the frame_order.quad_int user function. This is used to switch between the high precision Scipy quadratic numerical integration and the low  | 
          2012-07-23 09:41:08 | Tree | 
| 
             
                
                [r17292]
                
                
                by 
        
  
    
   bugman
    
                 
          Created the frame_order.num_int_pts user function for changing the integration precision. This is for setting the number of integration points in the Sobol' quasi-random sequence used in the  | 
          2012-07-23 09:29:40 | Tree | 
| 2012-07-20 14:58:06 | Tree | |
| 
             
                
                [r17290]
                
                
                by 
        
  
    
   bugman
    
                 
          Updated the 2nd free-rotor isotropic cone frame order optimisation script to match the test suite.  | 
          2012-07-20 07:57:35 | Tree | 
| 
             
                
                [r17289]
                
                
                by 
        
  
    
   bugman
    
                 
          The CaM frame order test data optimisation scripts now match the system tests. The residues used in the C-terminal domain now match in all the tests and scripts.  | 
          2012-07-19 12:39:58 | Tree | 
| 
             
                
                [r17288]
                
                
                by 
        
  
    
   bugman
    
                 
          Fixes for all of the frame order optimisation scripts in the test suite shared data directories.  | 
          2012-07-19 09:57:18 | Tree | 
| 
             
                
                [r17287]
                
                
                by 
        
  
    
   bugman
    
                 
          Converted the frame order test data distribution generation script to the interatomic data design.  | 
          2012-07-19 08:55:09 | Tree | 
| 
             
                
                [r17286]
                
                
                by 
        
  
    
   bugman
    
                 
          Converted a number of objects in the frame order target functions to numpy.float16 types. These were originally float64.  These objects relate to the 3D structure which is not very accurate  | 
          2012-07-19 08:03:54 | Tree | 
| 
             
                
                [r17285]
                
                
                by 
        
  
    
   bugman
    
                 
          The rigid frame order model no longer uses the numerical quasi-random integration path.  | 
          2012-07-18 14:15:10 | Tree |