| Commit | Date | |
|---|---|---|
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                [r17064]
                
                
                by 
        
  
    
   bugman
    
                 Interatomic data containers can now be selected and deselected. The user functions select.interatom and deselect.interatom have been created mimicking the | 2012-06-26 15:45:56 | Tree | 
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                [r17063]
                
                
                by 
        
  
    
   bugman
    
                 Modified the interatomic_loop() function so that spin IDs can be used to restrict the looping. | 2012-06-26 15:32:09 | Tree | 
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                [r17062]
                
                
                by 
        
  
    
   bugman
    
                 Fix for the N-state model _minimise_bc_data() method for the interatomic data design. | 2012-06-26 12:29:12 | Tree | 
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                [r17061]
                
                
                by 
        
  
    
   bugman
    
                 A number of fixes for the N-state model target functions for the interatomic data design. | 2012-06-26 12:28:09 | Tree | 
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                [r17060]
                
                
                by 
        
  
    
   bugman
    
                 Converted all of the rdc related functions to the interatomic data container design. | 2012-06-26 12:27:37 | Tree | 
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                [r17059]
                
                
                by 
        
  
    
   bugman
    
                 Updated all N-state model analysis references to RDCs and NOEs to use the interatomic data containers. This is mainly for the methods reliant on the base_data_loop() iterator. | 2012-06-26 09:09:31 | Tree | 
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                [r17058]
                
                
                by 
        
  
    
   bugman
    
                 Fixes for the N-state model optimisation target function code for the interatomic data design. | 2012-06-25 17:48:48 | Tree | 
| 
                
                [r17057]
                
                
                by 
        
  
    
   bugman
    
                 Fixes to the N-state model minimisation setup and execution code for the interatomic data design. | 2012-06-25 17:48:17 | Tree | 
| 
                
                [r17056]
                
                
                by 
        
  
    
   bugman
    
                 A few small changes to the spin IDs used and the print out from the rdc.read user function. | 2012-06-25 14:47:53 | Tree | 
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                [r17055]
                
                
                by 
        
  
    
   bugman
    
                 Modified InteratomContainer.id_match() to handle a single spin ID and to match to all unique IDs. This uses the spin container _spin_ids list private metadata structure. | 2012-06-25 14:24:21 | Tree |