| # | Line 25 | Line 25 | void Bond::constrain(double bond_distance){ | |
|---|---|---|
| 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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