Lines Matching refs:newalign
191 std::vector<double> newalign(run.size(),1.); in main() local
194 rmsd->set(newalign, newdisplace, ref,type,remove_com,normalize_weights ); in main()
213 std::vector<double> newalign(run.size(),1.); in main() local
216 rmsd->set(newalign, newdisplace, ref,type,remove_com,normalize_weights); in main()
226 rmsd->set(newalign, newdisplace, ref,type,remove_com,normalize_weights ); in main()
475 std::vector<double> newalign(run.size(),1.); in main() local
478 rmsd->set(newalign, newdisplace, ref,type,remove_com,normalize_weights ); in main()
507 std::vector<double> newalign(run.size(),1.); in main() local
510 rmsd->set(newalign, newdisplace, ref,type,remove_com,normalize_weights ); in main()
524 rmsd->set(newalign, newdisplace, ref,type,remove_com,normalize_weights ); in main()
557 std::vector<double> newalign(10,1.); in main() local
563 …<10;i++){r_run.push_back(run[i]);r_ref.push_back(ref[i]);r_al.push_back(newalign[i]);r_disp.push_b… in main()