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topics [2019/09/12 09:11]
johnsoevans
topics [2020/03/18 19:01]
johnsoevans
Line 16: Line 16:
  
   * [[Bond valence restraints]]   * [[Bond valence restraints]]
 +
 +  * [[CIF to INP format]]
  
   * [[Command line running]]   * [[Command line running]]
Line 26: Line 28:
    
   * [[Controlling number of cycles in continue_after_convergence]]   * [[Controlling number of cycles in continue_after_convergence]]
 + 
 +  * [[optional sections]] #define and #prm
    
   * [[del parameter]]   * [[del parameter]]
Line 34: Line 38:
  
   * [[Get coordinates]]   * [[Get coordinates]]
 +
 +  * [[Get() values]]
  
   * [[hkl dependent peak shapes]]   * [[hkl dependent peak shapes]]
Line 70: Line 76:
  
   * [[Retrieving coordinates of negative Fourier peaks]]   * [[Retrieving coordinates of negative Fourier peaks]]
 +
   * [[Rigid Body - Matching to a known fragment]]   * [[Rigid Body - Matching to a known fragment]]
  

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