Searched refs:Newmol (Results 1 – 1 of 1) sorted by relevance
44021 Newmol=molecule44082 if (Newmol%is_connect) then44169 if (Newmol%is_connect) then44282 Newmolecule=Newmol44284 Molecule=Newmol44342 do i=2,Newmol%natoms44347 u1=Newmol%I_coor(:,2)44349 u2=Newmol%I_coor(:,3)44358 do i=2,Newmol%natoms44368 Newmolecule=Newmol[all …]