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Syntax - ANIS

 ANIS {<couplings-statement>} END 
 <Anisotropy-statement>:== 
  ASSIgn <sel> <sel> <sel> <sel> <real> <real>
         {* i j k l Anis-obs  Anis-err*}
  CLASsification <name> ! Starts a new class. Applies to all 
         ! ASSIgn , TYPE, and FORCe entries until 
         ! another CLASS entry is issued. 
  COEFficient <real> <real> <real> <real>
         !a0+a1*cos(x)+a2*cos(2x)+a3*(cos4x)
  FORCeconstant <real> ! force const for all assignments 
         ! in the current class. {default = 50} 
  NREStraints <integer> ! number of slots for Anis  
         ! restraints to allocate in memory {default = 200} 
  POTEntial <SQUAre | HARMonic> !  use Anis-err or not
  PRINt THREshold <real> ! prints Anis viol greater than 
         ! the specified value 
  RESEt  ! erases the Anis. assignment table, but keeps  
         ! NRESTRAINTS the same. 
  TYPE <RELAX | MISC> ! indicates the type of anisotropy.

Xplor-NIH 2025-03-21