Main Overview Data Structures Init Dynamics Loop Functions  

Function Reference

   

Inter-Node Communications

    
 

Migrate

  
  Pass atoms that have left my dynamics region to my neighbor. 

Integrate watches for atoms which leave ROI and adds them to appropriate migrant region.

  
   
 

Exchange Ghosts

  
  Send my edges to my neighbors to use as ghosts; receive ghosts from my neighbor.  
  Could be clever and interleave with computation.   
 

Advance

  
  Move the entire crystal in direction dir by a given amount.   
 

dir

 
 

amt

 
   
   

Atombuf Diddling

    
 

Cut / CutCompl

 (region, source, dest)  
  Remove all particles [within / not within] a given region from the source atombuf, adding them to the dest atombuf. Removes in-place by swapping.  
 

region

  
 

source

  
 

dest

 Can be non-empty; atoms cut from source will be added to dest. dest may be reallocated by Cut.   
 

Clear / ClearCompl

 (region, source)  
  Remove all particles [within / not within] a given region from the source atombuf. Removes in-place by swapping.  
 

 
 

Copy / CopyCompl

 (region, source, dest)  
  Copy all particles [within / not within] a given region from the source atombuf, adding them to the dest atombuf. If most atoms will be copied, do a Paste/Clear  
   
 

Paste

 (source, dest)  
  Adds all the particles in source to dest.   
   
 

New

 (bufsize)  
  Makes a new, empty atombuf  
 

Free

 ()  
  Frees an atombuf.  
   
   

External Forces

    
 

Strain

  
  Strain or shear a crystal by rigidly displacing the given edge in one of the direction directions.  
 

dir

 
 

edge

The edge to displace.  
 

thickness

The thickness of the edge-region to displace.  
 

amt