# ========================================================================= # LAMMPS file for 'read_data' command # # Generated using SELM_Builder GUI by Paul J. Atzberger. # # ========================================================================= # ========================================================================= # Description: # ------------------------------------------------------------------------- # # SELM_Lagrangian = SELM_Lagrangian_LAMMPS_ATOM_ANGLE_STYLE # LagrangianName = Points # LagrangianTypeStr = LAMMPS_ATOM_ANGLE_STYLE # # SELM_Eulerian = SELM_Eulerian_LAMMPS_SHEAR_UNIFORM1_FFTW3 # # atom_type = angle_type # # ========================================================================= # ========================================================================= # Header information: # ------------------------------------------------------------------------- 2 atoms 1 bonds 0 angles 1 atom types 1 bond types 0 angle types # ========================================================================= # ========================================================================= # Domain Size Specification: # ------------------------------------------------------------------------- -202.5 202.5 xlo xhi -202.5 202.5 ylo yhi -202.5 202.5 zlo zhi 0.0 0.0 0.0 xy xz yz # ========================================================================= # ========================================================================= # Mass Specification: # # Gives for each atom the following: # type-ID | mass # ------------------------------------------------------------------------- # Atom Location Specification: # # Gives for atom angle_type the following: # atom-ID | molecule-ID | type-ID | x | y | z # ------------------------------------------------------------------------- # Bond Specification: # # Gives for atom angle_type the following: # bond-ID | type-ID | atom1-ID | atom2-ID # ------------------------------------------------------------------------- # Angle Specification: # # Gives for atom angle_type the following: # angle-ID | type-ID | atom1-ID | atom2-ID | atom3-ID # ------------------------------------------------------------------------- # WARNING: atom-ID, type-ID, molecule-ID must be between 1 - N # ------------------------------------------------------------------------- Masses 1 1.123 Atoms 1 1 1 0.0 0.0 -50.0 2 1 1 0.0 0.0 50.0 Bond Coeffs 1 fene 2898.6660 200.0 0.0 0.0 Bonds 1 1 1 2 Angles