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get_distance [2016/10/15 15:19]
johnsoevans
get_distance [2018/11/23 13:41]
johnsoevans
Line 15: Line 15:
  
  
-<code topas>​macro Get_Angle(sites,​ c, ang_calc) +<code topas> 
-+macro Get_Angle(sites,​ c, ang_calc) 
-   ​#m_ifarg c ""​ +      
-      #​m_unique_not_refine c +         ​#m_ifarg c ""​ 
-   ​#m_endif +            #​m_unique_not_refine c 
- sites_geometry ​s3 +         ​#m_endif 
- load site_to_restrain { sites } +         ​sites_geometry ​ 
- prm   c = Sites_Geometry_Angle(s3); : ang_calc +            load site_to_restrain { sites } 
-}</​code>​+         ​prm = Sites_Geometry_Angle(c); : ang_calc 
 +      } 
 +</​code>​
   ​   ​
 Typical useage would be: Typical useage would be:
Line 38: Line 40:
 More fundamental language for distances and angles is: More fundamental language for distances and angles is:
  
-<code topas>​sites_geometry ​s2+<code topas>​sites_geometry ​s1
  load site_to_restrain { O5 0 0 0 0 O5 5 -1 1 0 }  load site_to_restrain { O5 0 0 0 0 O5 5 -1 1 0 }
-prm diag_short = Sites_Geometry_Distance(s2); :  5.07701`_0.00402+prm diag_short = Sites_Geometry_Distance(s1); :  5.07701`_0.00402
                        
-sites_geometry ​s3+sites_geometry ​s2
  load site_to_restrain { Si2 0 0 0 0  O3 0 0 0 0 Si1 0 0 0 0 }  load site_to_restrain { Si2 0 0 0 0  O3 0 0 0 0 Si1 0 0 0 0 }
-prm Si1_O3_Si2 = Sites_Geometry_Angle(s3); :  137.38670`_0.14381  ​+prm Si1_O3_Si2 = Sites_Geometry_Angle(s2); :  137.38670`_0.14381  ​
 </​code>​ </​code>​
  

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