# | Line 12 | Line 12 | ConstrainedBond::ConstrainedBond( Atom &a, Atom &b, do | |
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12 | } | |
13 | ||
14 | ||
15 | + | HarmonicBond::HarmonicBond(Atom &a, Atom &b, double theR0, double theK0 ){ |
16 | + | |
17 | + | set_atoms( a, b ); |
18 | + | d0 = theR0; |
19 | + | k0 = theK0; |
20 | + | c_potential_E = 0.0; |
21 | + | } |
22 | + | |
23 | + | |
24 | + | double HarmonicBond::bond_force( double r_ab ){ |
25 | + | |
26 | + | double force; |
27 | + | double dr, dr2; |
28 | + | |
29 | + | dr = r_ab - d0; |
30 | + | dr2 = dr * dr; |
31 | + | |
32 | + | c_potential_E = 0.5 * k0 * dr2; |
33 | + | force = - k0 * dr; |
34 | + | return force; |
35 | + | |
36 | + | } |
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