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h_ride [topas wiki]

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h_ride

H_ride

Description: Ride H atoms in organic structures

Contributor: Alan Coelho

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
}
h_ride.txt · Last modified: 2022/11/03 15:08 by 127.0.0.1