# | Line 25 | Line 25 | void Bond::constrain(double bond_distance){ | |
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25 | c_is_constrained = 1; | |
26 | ||
27 | c_constraint = new Constraint(); | |
28 | < | c_constraint->set_a( c_p_a->getIndex() ); |
29 | < | c_constraint->set_b( c_p_b->getIndex() ); |
28 | > | c_constraint->set_a( c_p_a->getLocalIndex() ); |
29 | > | c_constraint->set_b( c_p_b->getLocalIndex() ); |
30 | c_constraint->set_dsqr( dsqr ); | |
31 | } | |
32 | ||
# | Line 51 | Line 51 | void Bond::calc_forces(){ | |
51 | double Fab_y; | |
52 | double Fab_z; | |
53 | ||
54 | < | double aR[3], bR[3]; |
55 | < | double aF[3], bF[3]; |
54 | > | Vector3d aR, bR; |
55 | > | Vector3d aF, bF; |
56 | ||
57 | /* initialize the vector */ | |
58 |
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