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h_ride [2009/11/18 15:59] (current)
dch3sl created
Line 1: Line 1:
 +====== H_ride ======
 +Description:​ Ride H atoms in organic structures
  
 +Contributor:​ Alan Coelho
 +<code topas>​macro H_ride(h_site,​ c_site, xv, yv, zv, beqcv)
 +{
 + site h_site
 + x = Constant((xv)-Get(Find_Child(Get(site_recs),​ c_site), x)) + Get(Find_Child(Get(site_recs),​ c_site), x);
 + y = Constant((yv)-Get(Find_Child(Get(site_recs),​ c_site), y)) + Get(Find_Child(Get(site_recs),​ c_site), y);
 + z = Constant((zv)-Get(Find_Child(Get(site_recs),​ c_site), z)) + Get(Find_Child(Get(site_recs),​ c_site), z);
 + occ H 1
 + beq beqcv
 +}
 +</​code>​

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