- if(f_c_ik==0.0) {
- bracket=0.0;
- bracket_n_1=0.0;
- bracket_n=0.0;
- }
- else {
- bracket=f_c_ik*g;
- bracket_n_1=pow(bracket,n-1.0);
- bracket_n=bracket_n_1*bracket;
- }
+ /* d_costheta contrib to db_ij (needed in all remaining cases) */
+ v3_scale(&temp,&dist_ij,d_costheta1);
+ v3_scale(&force,&dist_ik,d_costheta2);
+ v3_add(&force,&force,&temp);
+ v3_scale(&force,&force,-2.0*frac*h_cos/d2_h_cos2); /* f_c_ik missing */