git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1842 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
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README
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README
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This is the LAMMPS (22 Jan 2008) software package.
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This is the LAMMPS (21 May 2008) software package.
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LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel
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LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel
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Simulator.
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Simulator.
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@ -21,7 +21,7 @@ at sjplimp@sandia.gov. The LAMMPS WWW Site at
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www.cs.sandia.gov/~sjplimp/lammps.html has more information about the
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www.cs.sandia.gov/~sjplimp/lammps.html has more information about the
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code and its uses.
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code and its uses.
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The LAMMPS (22 Jan 2008) distribution includes the following files
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The LAMMPS (21 May 2008) distribution includes the following files
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and directories:
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and directories:
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README this file
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README this file
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@ -22,7 +22,7 @@
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<CENTER><H3>LAMMPS Documentation
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<CENTER><H3>LAMMPS Documentation
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</H3></CENTER>
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</H3></CENTER>
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<CENTER>(22 Jan 2008 version of LAMMPS)
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<CENTER>(21 May 2008 version of LAMMPS)
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</CENTER>
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</CENTER>
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<P>LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel
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<P>LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel
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Simulator.
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Simulator.
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BIN
doc/Manual.pdf
BIN
doc/Manual.pdf
Binary file not shown.
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LAMMPS Documentation :c,h3
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LAMMPS Documentation :c,h3
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(22 Jan 2008 version of LAMMPS) :c
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(21 May 2008 version of LAMMPS) :c
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LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel
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LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel
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Simulator.
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Simulator.
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@ -39,7 +39,7 @@ to edit for your platform) which will build several of the tools which
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reside in that directory. Some of them are larger packages in their
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reside in that directory. Some of them are larger packages in their
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own sub-directories with their own Makefiles.
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own sub-directories with their own Makefiles.
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"amber2lammps"_#amber
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"amber2lmp"_#amber
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"binary2txt"_#binary
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"binary2txt"_#binary
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"ch2lmp"_#charmm
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"ch2lmp"_#charmm
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"chain"_#chain
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"chain"_#chain
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@ -43,8 +43,9 @@ all compute styles support all parameters.
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<P>The <I>extra</I> keyword refers to how many degrees-of-freedom are
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<P>The <I>extra</I> keyword refers to how many degrees-of-freedom are
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subtracted (typically from 3N) as a normalizing factor in a
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subtracted (typically from 3N) as a normalizing factor in a
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temperature computation. Only computes that compute a temperature use
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temperature computation. Only computes that compute a temperature use
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this option. The default is 3 which is a correction factor for an
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this option. The default is 2 or 3 for <A HREF = "dimension.html">2d or 3d
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ensemble of velocities with zero total linear momentum.
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systems</A> which is a correction factor for an ensemble
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of velocities with zero total linear momentum.
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</P>
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</P>
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<P>The <I>dynamic</I> keyword determines whether the number of atoms N in the
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<P>The <I>dynamic</I> keyword determines whether the number of atoms N in the
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compute group is re-computed each time a temperature is computed.
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compute group is re-computed each time a temperature is computed.
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@ -69,8 +70,8 @@ fixes</A> for details.
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</P>
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</P>
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<P><B>Default:</B>
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<P><B>Default:</B>
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</P>
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</P>
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<P>The option defaults are extra = 3 and dynamic = no. Thermo is <I>yes</I> if
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<P>The option defaults are extra = 2 or 3 for 2d or 3d systems and
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the compute of style <I>pe</I> was defined with no extra keywords; otherwise
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dynamic = no. Thermo is <I>yes</I> if the compute of style <I>pe</I> was
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it is <I>no</I>.
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defined with no extra keywords; otherwise it is <I>no</I>.
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</P>
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</P>
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</HTML>
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</HTML>
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@ -36,8 +36,9 @@ all compute styles support all parameters.
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The {extra} keyword refers to how many degrees-of-freedom are
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The {extra} keyword refers to how many degrees-of-freedom are
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subtracted (typically from 3N) as a normalizing factor in a
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subtracted (typically from 3N) as a normalizing factor in a
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temperature computation. Only computes that compute a temperature use
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temperature computation. Only computes that compute a temperature use
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this option. The default is 3 which is a correction factor for an
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this option. The default is 2 or 3 for "2d or 3d
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ensemble of velocities with zero total linear momentum.
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systems"_dimension.html which is a correction factor for an ensemble
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of velocities with zero total linear momentum.
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The {dynamic} keyword determines whether the number of atoms N in the
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The {dynamic} keyword determines whether the number of atoms N in the
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compute group is re-computed each time a temperature is computed.
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compute group is re-computed each time a temperature is computed.
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@ -62,6 +63,6 @@ fixes"_fix.html for details.
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[Default:]
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[Default:]
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The option defaults are extra = 3 and dynamic = no. Thermo is {yes} if
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The option defaults are extra = 2 or 3 for 2d or 3d systems and
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the compute of style {pe} was defined with no extra keywords; otherwise
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dynamic = no. Thermo is {yes} if the compute of style {pe} was
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it is {no}.
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defined with no extra keywords; otherwise it is {no}.
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@ -7,9 +7,9 @@ SHELL = /bin/sh
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ROOT = lmp
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ROOT = lmp
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EXE = lib$(ROOT)_$@.a
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EXE = lib$(ROOT)_$@.a
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SRC = angle.cpp angle_charmm.cpp angle_class2.cpp angle_cosine.cpp angle_cosine_delta.cpp angle_cosine_squared.cpp angle_harmonic.cpp angle_hybrid.cpp atom.cpp atom_vec.cpp atom_vec_angle.cpp atom_vec_atomic.cpp atom_vec_bond.cpp atom_vec_charge.cpp atom_vec_dipole.cpp atom_vec_dpd.cpp atom_vec_ellipsoid.cpp atom_vec_full.cpp atom_vec_granular.cpp atom_vec_hybrid.cpp atom_vec_molecular.cpp bond.cpp bond_class2.cpp bond_fene.cpp bond_fene_expand.cpp bond_harmonic.cpp bond_hybrid.cpp bond_morse.cpp bond_nonlinear.cpp bond_quartic.cpp change_box.cpp comm.cpp compute.cpp compute_centro_atom.cpp compute_coord_atom.cpp compute_displace_atom.cpp compute_erotate_asphere.cpp compute_erotate_sphere.cpp compute_group_group.cpp compute_ke.cpp compute_ke_atom.cpp compute_pe.cpp compute_pe_atom.cpp compute_pressure.cpp compute_reduce.cpp compute_stress_atom.cpp compute_temp.cpp compute_temp_asphere.cpp compute_temp_com.cpp compute_temp_deform.cpp compute_temp_partial.cpp compute_temp_ramp.cpp compute_temp_region.cpp compute_temp_sphere.cpp create_atoms.cpp create_box.cpp delete_atoms.cpp delete_bonds.cpp dihedral.cpp dihedral_charmm.cpp dihedral_class2.cpp dihedral_harmonic.cpp dihedral_helix.cpp dihedral_hybrid.cpp dihedral_multi_harmonic.cpp dihedral_opls.cpp displace_atoms.cpp displace_box.cpp domain.cpp dump.cpp dump_atom.cpp dump_bond.cpp dump_custom.cpp dump_dcd.cpp dump_xtc.cpp dump_xyz.cpp error.cpp ewald.cpp fft3d.cpp fft3d_wrap.cpp finish.cpp fix.cpp fix_add_force.cpp fix_ave_atom.cpp fix_ave_force.cpp fix_ave_spatial.cpp fix_ave_time.cpp fix_bond_swap.cpp fix_com.cpp fix_coord_original.cpp fix_deform.cpp fix_deposit.cpp fix_drag.cpp fix_dt_reset.cpp fix_efield.cpp fix_enforce2d.cpp fix_freeze.cpp fix_gravity.cpp fix_gyration.cpp fix_heat.cpp fix_indent.cpp fix_langevin.cpp fix_line_force.cpp fix_minimize.cpp fix_momentum.cpp fix_msd.cpp fix_nph.cpp fix_npt.cpp fix_npt_asphere.cpp fix_npt_sphere.cpp fix_nve.cpp fix_nve_asphere.cpp fix_nve_limit.cpp fix_nve_noforce.cpp fix_nve_sphere.cpp fix_nvt.cpp fix_nvt_asphere.cpp fix_nvt_sllod.cpp fix_nvt_sphere.cpp fix_orient_fcc.cpp fix_plane_force.cpp fix_poems.cpp fix_pour.cpp fix_press_berendsen.cpp fix_print.cpp fix_rdf.cpp fix_recenter.cpp fix_respa.cpp fix_rigid.cpp fix_set_force.cpp fix_shake.cpp fix_shear_history.cpp fix_spring.cpp fix_spring_rg.cpp fix_spring_self.cpp fix_temp_berendsen.cpp fix_temp_rescale.cpp fix_thermal_conductivity.cpp fix_tmd.cpp fix_viscosity.cpp fix_viscous.cpp fix_wall_gran.cpp fix_wall_lj126.cpp fix_wall_lj93.cpp fix_wall_reflect.cpp fix_wiggle.cpp force.cpp group.cpp improper.cpp improper_class2.cpp improper_cvff.cpp improper_harmonic.cpp improper_hybrid.cpp input.cpp integrate.cpp kspace.cpp lammps.cpp lattice.cpp library.cpp memory.cpp min.cpp min_cg.cpp min_sd.cpp minimize.cpp modify.cpp neigh_bond.cpp neigh_derive.cpp neigh_full.cpp neigh_gran.cpp neigh_half_bin.cpp neigh_half_multi.cpp neigh_half_nsq.cpp neigh_list.cpp neigh_request.cpp neigh_respa.cpp neigh_stencil.cpp neighbor.cpp output.cpp pack.cpp pair.cpp pair_airebo.cpp pair_buck.cpp pair_buck_coul_cut.cpp pair_buck_coul_long.cpp pair_colloid.cpp pair_coul_cut.cpp pair_coul_debye.cpp pair_coul_long.cpp pair_dipole_cut.cpp pair_dpd.cpp pair_eam.cpp pair_eam_alloy.cpp pair_eam_alloy_opt.cpp pair_eam_fs.cpp pair_eam_fs_opt.cpp pair_eam_opt.cpp pair_gayberne.cpp pair_gran_hertzian.cpp pair_gran_history.cpp pair_gran_no_history.cpp pair_hybrid.cpp pair_hybrid_overlay.cpp pair_lj_charmm_coul_charmm.cpp pair_lj_charmm_coul_charmm_implicit.cpp pair_lj_charmm_coul_long.cpp pair_lj_charmm_coul_long_opt.cpp pair_lj_class2.cpp pair_lj_class2_coul_cut.cpp pair_lj_class2_coul_long.cpp pair_lj_cut.cpp pair_lj_cut_coul_cut.cpp pair_lj_cut_coul_debye.cpp pair_lj_cut_coul_long.cpp pair_lj_cut_coul_long_tip4p.cpp pair_lj_cut_opt.cpp pair_lj_expand.cpp pair_lj_gromacs.cpp pair_lj_gromacs_coul_gromacs.cpp pair_lj_smooth.cpp pair_lubricate.cpp pair_meam.cpp pair_morse.cpp pair_morse_opt.cpp pair_resquared.cpp pair_soft.cpp pair_sw.cpp pair_table.cpp pair_tersoff.cpp pair_yukawa.cpp pppm.cpp pppm_tip4p.cpp random_mars.cpp random_park.cpp read_data.cpp read_restart.cpp region.cpp region_block.cpp region_cylinder.cpp region_intersect.cpp region_prism.cpp region_sphere.cpp region_union.cpp remap.cpp remap_wrap.cpp replicate.cpp respa.cpp run.cpp set.cpp shell.cpp special.cpp temper.cpp thermo.cpp timer.cpp universe.cpp update.cpp variable.cpp velocity.cpp verlet.cpp write_restart.cpp xdr_compat.cpp
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SRC = angle.cpp angle_charmm.cpp angle_cosine.cpp angle_cosine_delta.cpp angle_cosine_squared.cpp angle_harmonic.cpp angle_hybrid.cpp atom.cpp atom_vec.cpp atom_vec_angle.cpp atom_vec_atomic.cpp atom_vec_bond.cpp atom_vec_charge.cpp atom_vec_full.cpp atom_vec_hybrid.cpp atom_vec_molecular.cpp bond.cpp bond_fene.cpp bond_fene_expand.cpp bond_harmonic.cpp bond_hybrid.cpp bond_morse.cpp bond_nonlinear.cpp bond_quartic.cpp change_box.cpp comm.cpp compute.cpp compute_centro_atom.cpp compute_coord_atom.cpp compute_displace_atom.cpp compute_erotate_sphere.cpp compute_group_group.cpp compute_ke.cpp compute_ke_atom.cpp compute_pe.cpp compute_pe_atom.cpp compute_pressure.cpp compute_reduce.cpp compute_stress_atom.cpp compute_temp.cpp compute_temp_com.cpp compute_temp_deform.cpp compute_temp_partial.cpp compute_temp_ramp.cpp compute_temp_region.cpp compute_temp_sphere.cpp create_atoms.cpp create_box.cpp delete_atoms.cpp delete_bonds.cpp dihedral.cpp dihedral_charmm.cpp dihedral_harmonic.cpp dihedral_helix.cpp dihedral_hybrid.cpp dihedral_multi_harmonic.cpp dihedral_opls.cpp displace_atoms.cpp displace_box.cpp domain.cpp dump.cpp dump_atom.cpp dump_bond.cpp dump_custom.cpp dump_dcd.cpp dump_xyz.cpp error.cpp ewald.cpp fft3d.cpp fft3d_wrap.cpp finish.cpp fix.cpp fix_add_force.cpp fix_ave_atom.cpp fix_ave_force.cpp fix_ave_spatial.cpp fix_ave_time.cpp fix_bond_swap.cpp fix_com.cpp fix_coord_original.cpp fix_deform.cpp fix_deposit.cpp fix_drag.cpp fix_dt_reset.cpp fix_efield.cpp fix_enforce2d.cpp fix_gravity.cpp fix_gyration.cpp fix_heat.cpp fix_indent.cpp fix_langevin.cpp fix_line_force.cpp fix_minimize.cpp fix_momentum.cpp fix_msd.cpp fix_nph.cpp fix_npt.cpp fix_npt_sphere.cpp fix_nve.cpp fix_nve_limit.cpp fix_nve_noforce.cpp fix_nve_sphere.cpp fix_nvt.cpp fix_nvt_sllod.cpp fix_nvt_sphere.cpp fix_orient_fcc.cpp fix_plane_force.cpp fix_press_berendsen.cpp fix_print.cpp fix_rdf.cpp fix_recenter.cpp fix_respa.cpp fix_rigid.cpp fix_set_force.cpp fix_shake.cpp fix_shear_history.cpp fix_spring.cpp fix_spring_rg.cpp fix_spring_self.cpp fix_temp_berendsen.cpp fix_temp_rescale.cpp fix_thermal_conductivity.cpp fix_tmd.cpp fix_viscosity.cpp fix_viscous.cpp fix_wall_lj126.cpp fix_wall_lj93.cpp fix_wall_reflect.cpp fix_wiggle.cpp force.cpp group.cpp improper.cpp improper_cvff.cpp improper_harmonic.cpp improper_hybrid.cpp input.cpp integrate.cpp kspace.cpp lammps.cpp lattice.cpp library.cpp memory.cpp min.cpp min_cg.cpp min_sd.cpp minimize.cpp modify.cpp neigh_bond.cpp neigh_derive.cpp neigh_full.cpp neigh_gran.cpp neigh_half_bin.cpp neigh_half_multi.cpp neigh_half_nsq.cpp neigh_list.cpp neigh_request.cpp neigh_respa.cpp neigh_stencil.cpp neighbor.cpp output.cpp pack.cpp pair.cpp pair_airebo.cpp pair_buck.cpp pair_buck_coul_cut.cpp pair_buck_coul_long.cpp pair_coul_cut.cpp pair_coul_debye.cpp pair_coul_long.cpp pair_eam.cpp pair_eam_alloy.cpp pair_eam_fs.cpp pair_hybrid.cpp pair_hybrid_overlay.cpp pair_lj_charmm_coul_charmm.cpp pair_lj_charmm_coul_charmm_implicit.cpp pair_lj_charmm_coul_long.cpp pair_lj_cut.cpp pair_lj_cut_coul_cut.cpp pair_lj_cut_coul_debye.cpp pair_lj_cut_coul_long.cpp pair_lj_cut_coul_long_tip4p.cpp pair_lj_expand.cpp pair_lj_gromacs.cpp pair_lj_gromacs_coul_gromacs.cpp pair_lj_smooth.cpp pair_morse.cpp pair_soft.cpp pair_sw.cpp pair_table.cpp pair_tersoff.cpp pair_yukawa.cpp pppm.cpp pppm_tip4p.cpp random_mars.cpp random_park.cpp read_data.cpp read_restart.cpp region.cpp region_block.cpp region_cylinder.cpp region_intersect.cpp region_prism.cpp region_sphere.cpp region_union.cpp remap.cpp remap_wrap.cpp replicate.cpp respa.cpp run.cpp set.cpp shell.cpp special.cpp temper.cpp thermo.cpp timer.cpp universe.cpp update.cpp variable.cpp velocity.cpp verlet.cpp write_restart.cpp
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INC = angle.h angle_charmm.h angle_class2.h angle_cosine.h angle_cosine_delta.h angle_cosine_squared.h angle_harmonic.h angle_hybrid.h atom.h atom_vec.h atom_vec_angle.h atom_vec_atomic.h atom_vec_bond.h atom_vec_charge.h atom_vec_dipole.h atom_vec_dpd.h atom_vec_ellipsoid.h atom_vec_full.h atom_vec_granular.h atom_vec_hybrid.h atom_vec_molecular.h bond.h bond_class2.h bond_fene.h bond_fene_expand.h bond_harmonic.h bond_hybrid.h bond_morse.h bond_nonlinear.h bond_quartic.h change_box.h comm.h compute.h compute_centro_atom.h compute_coord_atom.h compute_displace_atom.h compute_erotate_asphere.h compute_erotate_sphere.h compute_group_group.h compute_ke.h compute_ke_atom.h compute_pe.h compute_pe_atom.h compute_pressure.h compute_reduce.h compute_stress_atom.h compute_temp.h compute_temp_asphere.h compute_temp_com.h compute_temp_deform.h compute_temp_partial.h compute_temp_ramp.h compute_temp_region.h compute_temp_sphere.h create_atoms.h create_box.h delete_atoms.h delete_bonds.h dihedral.h dihedral_charmm.h dihedral_class2.h dihedral_harmonic.h dihedral_helix.h dihedral_hybrid.h dihedral_multi_harmonic.h dihedral_opls.h displace_atoms.h displace_box.h domain.h dump.h dump_atom.h dump_bond.h dump_custom.h dump_dcd.h dump_xtc.h dump_xyz.h error.h ewald.h fft3d.h fft3d_wrap.h finish.h fix.h fix_add_force.h fix_ave_atom.h fix_ave_force.h fix_ave_spatial.h fix_ave_time.h fix_bond_swap.h fix_com.h fix_coord_original.h fix_deform.h fix_deposit.h fix_drag.h fix_dt_reset.h fix_efield.h fix_enforce2d.h fix_freeze.h fix_gravity.h fix_gyration.h fix_heat.h fix_indent.h fix_langevin.h fix_line_force.h fix_minimize.h fix_momentum.h fix_msd.h fix_nph.h fix_npt.h fix_npt_asphere.h fix_npt_sphere.h fix_nve.h fix_nve_asphere.h fix_nve_limit.h fix_nve_noforce.h fix_nve_sphere.h fix_nvt.h fix_nvt_asphere.h fix_nvt_sllod.h fix_nvt_sphere.h fix_orient_fcc.h fix_plane_force.h fix_poems.h fix_pour.h fix_press_berendsen.h fix_print.h fix_rdf.h fix_recenter.h fix_respa.h fix_rigid.h fix_set_force.h fix_shake.h fix_shear_history.h fix_spring.h fix_spring_rg.h fix_spring_self.h fix_temp_berendsen.h fix_temp_rescale.h fix_thermal_conductivity.h fix_tmd.h fix_viscosity.h fix_viscous.h fix_wall_gran.h fix_wall_lj126.h fix_wall_lj93.h fix_wall_reflect.h fix_wiggle.h force.h group.h improper.h improper_class2.h improper_cvff.h improper_harmonic.h improper_hybrid.h input.h integrate.h kspace.h lammps.h lattice.h library.h math_extra.h memory.h min.h min_cg.h min_sd.h minimize.h modify.h neigh_list.h neigh_request.h neighbor.h output.h pack.h pair.h pair_airebo.h pair_buck.h pair_buck_coul_cut.h pair_buck_coul_long.h pair_colloid.h pair_coul_cut.h pair_coul_debye.h pair_coul_long.h pair_dipole_cut.h pair_dpd.h pair_eam.h pair_eam_alloy.h pair_eam_alloy_opt.h pair_eam_fs.h pair_eam_fs_opt.h pair_eam_opt.h pair_gayberne.h pair_gran_hertzian.h pair_gran_history.h pair_gran_no_history.h pair_hybrid.h pair_hybrid_overlay.h pair_lj_charmm_coul_charmm.h pair_lj_charmm_coul_charmm_implicit.h pair_lj_charmm_coul_long.h pair_lj_charmm_coul_long_opt.h pair_lj_class2.h pair_lj_class2_coul_cut.h pair_lj_class2_coul_long.h pair_lj_cut.h pair_lj_cut_coul_cut.h pair_lj_cut_coul_debye.h pair_lj_cut_coul_long.h pair_lj_cut_coul_long_tip4p.h pair_lj_cut_opt.h pair_lj_expand.h pair_lj_gromacs.h pair_lj_gromacs_coul_gromacs.h pair_lj_smooth.h pair_lubricate.h pair_meam.h pair_morse.h pair_morse_opt.h pair_resquared.h pair_soft.h pair_sw.h pair_table.h pair_tersoff.h pair_yukawa.h pointers.h pppm.h pppm_tip4p.h random_mars.h random_park.h read_data.h read_restart.h region.h region_block.h region_cylinder.h region_intersect.h region_prism.h region_sphere.h region_union.h remap.h remap_wrap.h replicate.h respa.h run.h set.h shell.h special.h style.h style_asphere.h style_class2.h style_colloid.h style_dipole.h style_dpd.h style_granular.h style_kspace.h style_manybody.h style_meam.h style_molecule.h style_opt.h style_poems.h style_user.h style_user_ackland.h style_user_cg_cmm.h style_user_ewaldn.h style_user_packages.h style_user_smd.h style_xtc.h temper.h thermo.h timer.h universe.h update.h variable.h velocity.h verlet.h write_restart.h xdr_compat.h
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INC = angle.h angle_charmm.h angle_cosine.h angle_cosine_delta.h angle_cosine_squared.h angle_harmonic.h angle_hybrid.h atom.h atom_vec.h atom_vec_angle.h atom_vec_atomic.h atom_vec_bond.h atom_vec_charge.h atom_vec_full.h atom_vec_hybrid.h atom_vec_molecular.h bond.h bond_fene.h bond_fene_expand.h bond_harmonic.h bond_hybrid.h bond_morse.h bond_nonlinear.h bond_quartic.h change_box.h comm.h compute.h compute_centro_atom.h compute_coord_atom.h compute_displace_atom.h compute_erotate_sphere.h compute_group_group.h compute_ke.h compute_ke_atom.h compute_pe.h compute_pe_atom.h compute_pressure.h compute_reduce.h compute_stress_atom.h compute_temp.h compute_temp_com.h compute_temp_deform.h compute_temp_partial.h compute_temp_ramp.h compute_temp_region.h compute_temp_sphere.h create_atoms.h create_box.h delete_atoms.h delete_bonds.h dihedral.h dihedral_charmm.h dihedral_harmonic.h dihedral_helix.h dihedral_hybrid.h dihedral_multi_harmonic.h dihedral_opls.h displace_atoms.h displace_box.h domain.h dump.h dump_atom.h dump_bond.h dump_custom.h dump_dcd.h dump_xyz.h error.h ewald.h fft3d.h fft3d_wrap.h finish.h fix.h fix_add_force.h fix_ave_atom.h fix_ave_force.h fix_ave_spatial.h fix_ave_time.h fix_bond_swap.h fix_com.h fix_coord_original.h fix_deform.h fix_deposit.h fix_drag.h fix_dt_reset.h fix_efield.h fix_enforce2d.h fix_gravity.h fix_gyration.h fix_heat.h fix_indent.h fix_langevin.h fix_line_force.h fix_minimize.h fix_momentum.h fix_msd.h fix_nph.h fix_npt.h fix_npt_sphere.h fix_nve.h fix_nve_limit.h fix_nve_noforce.h fix_nve_sphere.h fix_nvt.h fix_nvt_sllod.h fix_nvt_sphere.h fix_orient_fcc.h fix_plane_force.h fix_press_berendsen.h fix_print.h fix_rdf.h fix_recenter.h fix_respa.h fix_rigid.h fix_set_force.h fix_shake.h fix_shear_history.h fix_spring.h fix_spring_rg.h fix_spring_self.h fix_temp_berendsen.h fix_temp_rescale.h fix_thermal_conductivity.h fix_tmd.h fix_viscosity.h fix_viscous.h fix_wall_lj126.h fix_wall_lj93.h fix_wall_reflect.h fix_wiggle.h force.h group.h improper.h improper_cvff.h improper_harmonic.h improper_hybrid.h input.h integrate.h kspace.h lammps.h lattice.h library.h math_extra.h memory.h min.h min_cg.h min_sd.h minimize.h modify.h neigh_list.h neigh_request.h neighbor.h output.h pack.h pair.h pair_airebo.h pair_buck.h pair_buck_coul_cut.h pair_buck_coul_long.h pair_coul_cut.h pair_coul_debye.h pair_coul_long.h pair_eam.h pair_eam_alloy.h pair_eam_fs.h pair_hybrid.h pair_hybrid_overlay.h pair_lj_charmm_coul_charmm.h pair_lj_charmm_coul_charmm_implicit.h pair_lj_charmm_coul_long.h pair_lj_cut.h pair_lj_cut_coul_cut.h pair_lj_cut_coul_debye.h pair_lj_cut_coul_long.h pair_lj_cut_coul_long_tip4p.h pair_lj_expand.h pair_lj_gromacs.h pair_lj_gromacs_coul_gromacs.h pair_lj_smooth.h pair_morse.h pair_soft.h pair_sw.h pair_table.h pair_tersoff.h pair_yukawa.h pointers.h pppm.h pppm_tip4p.h random_mars.h random_park.h read_data.h read_restart.h region.h region_block.h region_cylinder.h region_intersect.h region_prism.h region_sphere.h region_union.h remap.h remap_wrap.h replicate.h respa.h run.h set.h shell.h special.h style.h style_asphere.h style_class2.h style_colloid.h style_dipole.h style_dpd.h style_granular.h style_kspace.h style_manybody.h style_meam.h style_molecule.h style_opt.h style_poems.h style_user.h style_user_ackland.h style_user_cg_cmm.h style_user_ewaldn.h style_user_packages.h style_user_smd.h style_xtc.h temper.h thermo.h timer.h universe.h update.h variable.h velocity.h verlet.h write_restart.h
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OBJ = $(SRC:.cpp=.o)
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OBJ = $(SRC:.cpp=.o)
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@ -7,9 +7,9 @@ SHELL = /bin/sh
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ROOT = lmp
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ROOT = lmp
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EXE = $(ROOT)_$@
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EXE = $(ROOT)_$@
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SRC = angle.cpp angle_charmm.cpp angle_class2.cpp angle_cosine.cpp angle_cosine_delta.cpp angle_cosine_squared.cpp angle_harmonic.cpp angle_hybrid.cpp atom.cpp atom_vec.cpp atom_vec_angle.cpp atom_vec_atomic.cpp atom_vec_bond.cpp atom_vec_charge.cpp atom_vec_dipole.cpp atom_vec_dpd.cpp atom_vec_ellipsoid.cpp atom_vec_full.cpp atom_vec_granular.cpp atom_vec_hybrid.cpp atom_vec_molecular.cpp bond.cpp bond_class2.cpp bond_fene.cpp bond_fene_expand.cpp bond_harmonic.cpp bond_hybrid.cpp bond_morse.cpp bond_nonlinear.cpp bond_quartic.cpp change_box.cpp comm.cpp compute.cpp compute_centro_atom.cpp compute_coord_atom.cpp compute_displace_atom.cpp compute_erotate_asphere.cpp compute_erotate_sphere.cpp compute_group_group.cpp compute_ke.cpp compute_ke_atom.cpp compute_pe.cpp compute_pe_atom.cpp compute_pressure.cpp compute_reduce.cpp compute_stress_atom.cpp compute_temp.cpp compute_temp_asphere.cpp compute_temp_com.cpp compute_temp_deform.cpp compute_temp_partial.cpp compute_temp_ramp.cpp compute_temp_region.cpp compute_temp_sphere.cpp create_atoms.cpp create_box.cpp delete_atoms.cpp delete_bonds.cpp dihedral.cpp dihedral_charmm.cpp dihedral_class2.cpp dihedral_harmonic.cpp dihedral_helix.cpp dihedral_hybrid.cpp dihedral_multi_harmonic.cpp dihedral_opls.cpp displace_atoms.cpp displace_box.cpp domain.cpp dump.cpp dump_atom.cpp dump_bond.cpp dump_custom.cpp dump_dcd.cpp dump_xtc.cpp dump_xyz.cpp error.cpp ewald.cpp fft3d.cpp fft3d_wrap.cpp finish.cpp fix.cpp fix_add_force.cpp fix_ave_atom.cpp fix_ave_force.cpp fix_ave_spatial.cpp fix_ave_time.cpp fix_bond_swap.cpp fix_com.cpp fix_coord_original.cpp fix_deform.cpp fix_deposit.cpp fix_drag.cpp fix_dt_reset.cpp fix_efield.cpp fix_enforce2d.cpp fix_freeze.cpp fix_gravity.cpp fix_gyration.cpp fix_heat.cpp fix_indent.cpp fix_langevin.cpp fix_line_force.cpp fix_minimize.cpp fix_momentum.cpp fix_msd.cpp fix_nph.cpp fix_npt.cpp fix_npt_asphere.cpp fix_npt_sphere.cpp fix_nve.cpp fix_nve_asphere.cpp fix_nve_limit.cpp fix_nve_noforce.cpp fix_nve_sphere.cpp fix_nvt.cpp fix_nvt_asphere.cpp fix_nvt_sllod.cpp fix_nvt_sphere.cpp fix_orient_fcc.cpp fix_plane_force.cpp fix_poems.cpp fix_pour.cpp fix_press_berendsen.cpp fix_print.cpp fix_rdf.cpp fix_recenter.cpp fix_respa.cpp fix_rigid.cpp fix_set_force.cpp fix_shake.cpp fix_shear_history.cpp fix_spring.cpp fix_spring_rg.cpp fix_spring_self.cpp fix_temp_berendsen.cpp fix_temp_rescale.cpp fix_thermal_conductivity.cpp fix_tmd.cpp fix_viscosity.cpp fix_viscous.cpp fix_wall_gran.cpp fix_wall_lj126.cpp fix_wall_lj93.cpp fix_wall_reflect.cpp fix_wiggle.cpp force.cpp group.cpp improper.cpp improper_class2.cpp improper_cvff.cpp improper_harmonic.cpp improper_hybrid.cpp input.cpp integrate.cpp kspace.cpp lammps.cpp lattice.cpp library.cpp main.cpp memory.cpp min.cpp min_cg.cpp min_sd.cpp minimize.cpp modify.cpp neigh_bond.cpp neigh_derive.cpp neigh_full.cpp neigh_gran.cpp neigh_half_bin.cpp neigh_half_multi.cpp neigh_half_nsq.cpp neigh_list.cpp neigh_request.cpp neigh_respa.cpp neigh_stencil.cpp neighbor.cpp output.cpp pack.cpp pair.cpp pair_airebo.cpp pair_buck.cpp pair_buck_coul_cut.cpp pair_buck_coul_long.cpp pair_colloid.cpp pair_coul_cut.cpp pair_coul_debye.cpp pair_coul_long.cpp pair_dipole_cut.cpp pair_dpd.cpp pair_eam.cpp pair_eam_alloy.cpp pair_eam_alloy_opt.cpp pair_eam_fs.cpp pair_eam_fs_opt.cpp pair_eam_opt.cpp pair_gayberne.cpp pair_gran_hertzian.cpp pair_gran_history.cpp pair_gran_no_history.cpp pair_hybrid.cpp pair_hybrid_overlay.cpp pair_lj_charmm_coul_charmm.cpp pair_lj_charmm_coul_charmm_implicit.cpp pair_lj_charmm_coul_long.cpp pair_lj_charmm_coul_long_opt.cpp pair_lj_class2.cpp pair_lj_class2_coul_cut.cpp pair_lj_class2_coul_long.cpp pair_lj_cut.cpp pair_lj_cut_coul_cut.cpp pair_lj_cut_coul_debye.cpp pair_lj_cut_coul_long.cpp pair_lj_cut_coul_long_tip4p.cpp pair_lj_cut_opt.cpp pair_lj_expand.cpp pair_lj_gromacs.cpp pair_lj_gromacs_coul_gromacs.cpp pair_lj_smooth.cpp pair_lubricate.cpp pair_meam.cpp pair_morse.cpp pair_morse_opt.cpp pair_resquared.cpp pair_soft.cpp pair_sw.cpp pair_table.cpp pair_tersoff.cpp pair_yukawa.cpp pppm.cpp pppm_tip4p.cpp random_mars.cpp random_park.cpp read_data.cpp read_restart.cpp region.cpp region_block.cpp region_cylinder.cpp region_intersect.cpp region_prism.cpp region_sphere.cpp region_union.cpp remap.cpp remap_wrap.cpp replicate.cpp respa.cpp run.cpp set.cpp shell.cpp special.cpp temper.cpp thermo.cpp timer.cpp universe.cpp update.cpp variable.cpp velocity.cpp verlet.cpp write_restart.cpp xdr_compat.cpp
|
SRC = angle.cpp angle_charmm.cpp angle_cosine.cpp angle_cosine_delta.cpp angle_cosine_squared.cpp angle_harmonic.cpp angle_hybrid.cpp atom.cpp atom_vec.cpp atom_vec_angle.cpp atom_vec_atomic.cpp atom_vec_bond.cpp atom_vec_charge.cpp atom_vec_full.cpp atom_vec_hybrid.cpp atom_vec_molecular.cpp bond.cpp bond_fene.cpp bond_fene_expand.cpp bond_harmonic.cpp bond_hybrid.cpp bond_morse.cpp bond_nonlinear.cpp bond_quartic.cpp change_box.cpp comm.cpp compute.cpp compute_centro_atom.cpp compute_coord_atom.cpp compute_displace_atom.cpp compute_erotate_sphere.cpp compute_group_group.cpp compute_ke.cpp compute_ke_atom.cpp compute_pe.cpp compute_pe_atom.cpp compute_pressure.cpp compute_reduce.cpp compute_stress_atom.cpp compute_temp.cpp compute_temp_com.cpp compute_temp_deform.cpp compute_temp_partial.cpp compute_temp_ramp.cpp compute_temp_region.cpp compute_temp_sphere.cpp create_atoms.cpp create_box.cpp delete_atoms.cpp delete_bonds.cpp dihedral.cpp dihedral_charmm.cpp dihedral_harmonic.cpp dihedral_helix.cpp dihedral_hybrid.cpp dihedral_multi_harmonic.cpp dihedral_opls.cpp displace_atoms.cpp displace_box.cpp domain.cpp dump.cpp dump_atom.cpp dump_bond.cpp dump_custom.cpp dump_dcd.cpp dump_xyz.cpp error.cpp ewald.cpp fft3d.cpp fft3d_wrap.cpp finish.cpp fix.cpp fix_add_force.cpp fix_ave_atom.cpp fix_ave_force.cpp fix_ave_spatial.cpp fix_ave_time.cpp fix_bond_swap.cpp fix_com.cpp fix_coord_original.cpp fix_deform.cpp fix_deposit.cpp fix_drag.cpp fix_dt_reset.cpp fix_efield.cpp fix_enforce2d.cpp fix_gravity.cpp fix_gyration.cpp fix_heat.cpp fix_indent.cpp fix_langevin.cpp fix_line_force.cpp fix_minimize.cpp fix_momentum.cpp fix_msd.cpp fix_nph.cpp fix_npt.cpp fix_npt_sphere.cpp fix_nve.cpp fix_nve_limit.cpp fix_nve_noforce.cpp fix_nve_sphere.cpp fix_nvt.cpp fix_nvt_sllod.cpp fix_nvt_sphere.cpp fix_orient_fcc.cpp fix_plane_force.cpp fix_press_berendsen.cpp fix_print.cpp fix_rdf.cpp fix_recenter.cpp fix_respa.cpp fix_rigid.cpp fix_set_force.cpp fix_shake.cpp fix_shear_history.cpp fix_spring.cpp fix_spring_rg.cpp fix_spring_self.cpp fix_temp_berendsen.cpp fix_temp_rescale.cpp fix_thermal_conductivity.cpp fix_tmd.cpp fix_viscosity.cpp fix_viscous.cpp fix_wall_lj126.cpp fix_wall_lj93.cpp fix_wall_reflect.cpp fix_wiggle.cpp force.cpp group.cpp improper.cpp improper_cvff.cpp improper_harmonic.cpp improper_hybrid.cpp input.cpp integrate.cpp kspace.cpp lammps.cpp lattice.cpp library.cpp main.cpp memory.cpp min.cpp min_cg.cpp min_sd.cpp minimize.cpp modify.cpp neigh_bond.cpp neigh_derive.cpp neigh_full.cpp neigh_gran.cpp neigh_half_bin.cpp neigh_half_multi.cpp neigh_half_nsq.cpp neigh_list.cpp neigh_request.cpp neigh_respa.cpp neigh_stencil.cpp neighbor.cpp output.cpp pack.cpp pair.cpp pair_airebo.cpp pair_buck.cpp pair_buck_coul_cut.cpp pair_buck_coul_long.cpp pair_coul_cut.cpp pair_coul_debye.cpp pair_coul_long.cpp pair_eam.cpp pair_eam_alloy.cpp pair_eam_fs.cpp pair_hybrid.cpp pair_hybrid_overlay.cpp pair_lj_charmm_coul_charmm.cpp pair_lj_charmm_coul_charmm_implicit.cpp pair_lj_charmm_coul_long.cpp pair_lj_cut.cpp pair_lj_cut_coul_cut.cpp pair_lj_cut_coul_debye.cpp pair_lj_cut_coul_long.cpp pair_lj_cut_coul_long_tip4p.cpp pair_lj_expand.cpp pair_lj_gromacs.cpp pair_lj_gromacs_coul_gromacs.cpp pair_lj_smooth.cpp pair_morse.cpp pair_soft.cpp pair_sw.cpp pair_table.cpp pair_tersoff.cpp pair_yukawa.cpp pppm.cpp pppm_tip4p.cpp random_mars.cpp random_park.cpp read_data.cpp read_restart.cpp region.cpp region_block.cpp region_cylinder.cpp region_intersect.cpp region_prism.cpp region_sphere.cpp region_union.cpp remap.cpp remap_wrap.cpp replicate.cpp respa.cpp run.cpp set.cpp shell.cpp special.cpp temper.cpp thermo.cpp timer.cpp universe.cpp update.cpp variable.cpp velocity.cpp verlet.cpp write_restart.cpp
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|
||||||
INC = angle.h angle_charmm.h angle_class2.h angle_cosine.h angle_cosine_delta.h angle_cosine_squared.h angle_harmonic.h angle_hybrid.h atom.h atom_vec.h atom_vec_angle.h atom_vec_atomic.h atom_vec_bond.h atom_vec_charge.h atom_vec_dipole.h atom_vec_dpd.h atom_vec_ellipsoid.h atom_vec_full.h atom_vec_granular.h atom_vec_hybrid.h atom_vec_molecular.h bond.h bond_class2.h bond_fene.h bond_fene_expand.h bond_harmonic.h bond_hybrid.h bond_morse.h bond_nonlinear.h bond_quartic.h change_box.h comm.h compute.h compute_centro_atom.h compute_coord_atom.h compute_displace_atom.h compute_erotate_asphere.h compute_erotate_sphere.h compute_group_group.h compute_ke.h compute_ke_atom.h compute_pe.h compute_pe_atom.h compute_pressure.h compute_reduce.h compute_stress_atom.h compute_temp.h compute_temp_asphere.h compute_temp_com.h compute_temp_deform.h compute_temp_partial.h compute_temp_ramp.h compute_temp_region.h compute_temp_sphere.h create_atoms.h create_box.h delete_atoms.h delete_bonds.h dihedral.h dihedral_charmm.h dihedral_class2.h dihedral_harmonic.h dihedral_helix.h dihedral_hybrid.h dihedral_multi_harmonic.h dihedral_opls.h displace_atoms.h displace_box.h domain.h dump.h dump_atom.h dump_bond.h dump_custom.h dump_dcd.h dump_xtc.h dump_xyz.h error.h ewald.h fft3d.h fft3d_wrap.h finish.h fix.h fix_add_force.h fix_ave_atom.h fix_ave_force.h fix_ave_spatial.h fix_ave_time.h fix_bond_swap.h fix_com.h fix_coord_original.h fix_deform.h fix_deposit.h fix_drag.h fix_dt_reset.h fix_efield.h fix_enforce2d.h fix_freeze.h fix_gravity.h fix_gyration.h fix_heat.h fix_indent.h fix_langevin.h fix_line_force.h fix_minimize.h fix_momentum.h fix_msd.h fix_nph.h fix_npt.h fix_npt_asphere.h fix_npt_sphere.h fix_nve.h fix_nve_asphere.h fix_nve_limit.h fix_nve_noforce.h fix_nve_sphere.h fix_nvt.h fix_nvt_asphere.h fix_nvt_sllod.h fix_nvt_sphere.h fix_orient_fcc.h fix_plane_force.h fix_poems.h fix_pour.h fix_press_berendsen.h fix_print.h fix_rdf.h fix_recenter.h fix_respa.h fix_rigid.h fix_set_force.h fix_shake.h fix_shear_history.h fix_spring.h fix_spring_rg.h fix_spring_self.h fix_temp_berendsen.h fix_temp_rescale.h fix_thermal_conductivity.h fix_tmd.h fix_viscosity.h fix_viscous.h fix_wall_gran.h fix_wall_lj126.h fix_wall_lj93.h fix_wall_reflect.h fix_wiggle.h force.h group.h improper.h improper_class2.h improper_cvff.h improper_harmonic.h improper_hybrid.h input.h integrate.h kspace.h lammps.h lattice.h library.h math_extra.h memory.h min.h min_cg.h min_sd.h minimize.h modify.h neigh_list.h neigh_request.h neighbor.h output.h pack.h pair.h pair_airebo.h pair_buck.h pair_buck_coul_cut.h pair_buck_coul_long.h pair_colloid.h pair_coul_cut.h pair_coul_debye.h pair_coul_long.h pair_dipole_cut.h pair_dpd.h pair_eam.h pair_eam_alloy.h pair_eam_alloy_opt.h pair_eam_fs.h pair_eam_fs_opt.h pair_eam_opt.h pair_gayberne.h pair_gran_hertzian.h pair_gran_history.h pair_gran_no_history.h pair_hybrid.h pair_hybrid_overlay.h pair_lj_charmm_coul_charmm.h pair_lj_charmm_coul_charmm_implicit.h pair_lj_charmm_coul_long.h pair_lj_charmm_coul_long_opt.h pair_lj_class2.h pair_lj_class2_coul_cut.h pair_lj_class2_coul_long.h pair_lj_cut.h pair_lj_cut_coul_cut.h pair_lj_cut_coul_debye.h pair_lj_cut_coul_long.h pair_lj_cut_coul_long_tip4p.h pair_lj_cut_opt.h pair_lj_expand.h pair_lj_gromacs.h pair_lj_gromacs_coul_gromacs.h pair_lj_smooth.h pair_lubricate.h pair_meam.h pair_morse.h pair_morse_opt.h pair_resquared.h pair_soft.h pair_sw.h pair_table.h pair_tersoff.h pair_yukawa.h pointers.h pppm.h pppm_tip4p.h random_mars.h random_park.h read_data.h read_restart.h region.h region_block.h region_cylinder.h region_intersect.h region_prism.h region_sphere.h region_union.h remap.h remap_wrap.h replicate.h respa.h run.h set.h shell.h special.h style.h style_asphere.h style_class2.h style_colloid.h style_dipole.h style_dpd.h style_granular.h style_kspace.h style_manybody.h style_meam.h style_molecule.h style_opt.h style_poems.h style_user.h style_user_ackland.h style_user_cg_cmm.h style_user_ewaldn.h style_user_packages.h style_user_smd.h style_xtc.h temper.h thermo.h timer.h universe.h update.h variable.h velocity.h verlet.h write_restart.h xdr_compat.h
|
INC = angle.h angle_charmm.h angle_cosine.h angle_cosine_delta.h angle_cosine_squared.h angle_harmonic.h angle_hybrid.h atom.h atom_vec.h atom_vec_angle.h atom_vec_atomic.h atom_vec_bond.h atom_vec_charge.h atom_vec_full.h atom_vec_hybrid.h atom_vec_molecular.h bond.h bond_fene.h bond_fene_expand.h bond_harmonic.h bond_hybrid.h bond_morse.h bond_nonlinear.h bond_quartic.h change_box.h comm.h compute.h compute_centro_atom.h compute_coord_atom.h compute_displace_atom.h compute_erotate_sphere.h compute_group_group.h compute_ke.h compute_ke_atom.h compute_pe.h compute_pe_atom.h compute_pressure.h compute_reduce.h compute_stress_atom.h compute_temp.h compute_temp_com.h compute_temp_deform.h compute_temp_partial.h compute_temp_ramp.h compute_temp_region.h compute_temp_sphere.h create_atoms.h create_box.h delete_atoms.h delete_bonds.h dihedral.h dihedral_charmm.h dihedral_harmonic.h dihedral_helix.h dihedral_hybrid.h dihedral_multi_harmonic.h dihedral_opls.h displace_atoms.h displace_box.h domain.h dump.h dump_atom.h dump_bond.h dump_custom.h dump_dcd.h dump_xyz.h error.h ewald.h fft3d.h fft3d_wrap.h finish.h fix.h fix_add_force.h fix_ave_atom.h fix_ave_force.h fix_ave_spatial.h fix_ave_time.h fix_bond_swap.h fix_com.h fix_coord_original.h fix_deform.h fix_deposit.h fix_drag.h fix_dt_reset.h fix_efield.h fix_enforce2d.h fix_gravity.h fix_gyration.h fix_heat.h fix_indent.h fix_langevin.h fix_line_force.h fix_minimize.h fix_momentum.h fix_msd.h fix_nph.h fix_npt.h fix_npt_sphere.h fix_nve.h fix_nve_limit.h fix_nve_noforce.h fix_nve_sphere.h fix_nvt.h fix_nvt_sllod.h fix_nvt_sphere.h fix_orient_fcc.h fix_plane_force.h fix_press_berendsen.h fix_print.h fix_rdf.h fix_recenter.h fix_respa.h fix_rigid.h fix_set_force.h fix_shake.h fix_shear_history.h fix_spring.h fix_spring_rg.h fix_spring_self.h fix_temp_berendsen.h fix_temp_rescale.h fix_thermal_conductivity.h fix_tmd.h fix_viscosity.h fix_viscous.h fix_wall_lj126.h fix_wall_lj93.h fix_wall_reflect.h fix_wiggle.h force.h group.h improper.h improper_cvff.h improper_harmonic.h improper_hybrid.h input.h integrate.h kspace.h lammps.h lattice.h library.h math_extra.h memory.h min.h min_cg.h min_sd.h minimize.h modify.h neigh_list.h neigh_request.h neighbor.h output.h pack.h pair.h pair_airebo.h pair_buck.h pair_buck_coul_cut.h pair_buck_coul_long.h pair_coul_cut.h pair_coul_debye.h pair_coul_long.h pair_eam.h pair_eam_alloy.h pair_eam_fs.h pair_hybrid.h pair_hybrid_overlay.h pair_lj_charmm_coul_charmm.h pair_lj_charmm_coul_charmm_implicit.h pair_lj_charmm_coul_long.h pair_lj_cut.h pair_lj_cut_coul_cut.h pair_lj_cut_coul_debye.h pair_lj_cut_coul_long.h pair_lj_cut_coul_long_tip4p.h pair_lj_expand.h pair_lj_gromacs.h pair_lj_gromacs_coul_gromacs.h pair_lj_smooth.h pair_morse.h pair_soft.h pair_sw.h pair_table.h pair_tersoff.h pair_yukawa.h pointers.h pppm.h pppm_tip4p.h random_mars.h random_park.h read_data.h read_restart.h region.h region_block.h region_cylinder.h region_intersect.h region_prism.h region_sphere.h region_union.h remap.h remap_wrap.h replicate.h respa.h run.h set.h shell.h special.h style.h style_asphere.h style_class2.h style_colloid.h style_dipole.h style_dpd.h style_granular.h style_kspace.h style_manybody.h style_meam.h style_molecule.h style_opt.h style_poems.h style_user.h style_user_ackland.h style_user_cg_cmm.h style_user_ewaldn.h style_user_packages.h style_user_smd.h style_xtc.h temper.h thermo.h timer.h universe.h update.h variable.h velocity.h verlet.h write_restart.h
|
||||||
|
|
||||||
OBJ = $(SRC:.cpp=.o)
|
OBJ = $(SRC:.cpp=.o)
|
||||||
|
|
||||||
|
|||||||
@ -1,52 +0,0 @@
|
|||||||
/* ----------------------------------------------------------------------
|
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
|
||||||
http://lammps.sandia.gov, Sandia National Laboratories
|
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
|
||||||
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
|
|
||||||
certain rights in this software. This software is distributed under
|
|
||||||
the GNU General Public License.
|
|
||||||
|
|
||||||
See the README file in the top-level LAMMPS directory.
|
|
||||||
------------------------------------------------------------------------- */
|
|
||||||
|
|
||||||
#ifdef AtomInclude
|
|
||||||
#include "atom_vec_ellipsoid.h"
|
|
||||||
#endif
|
|
||||||
|
|
||||||
#ifdef AtomClass
|
|
||||||
AtomStyle(ellipsoid,AtomVecEllipsoid)
|
|
||||||
# endif
|
|
||||||
|
|
||||||
#ifdef ComputeInclude
|
|
||||||
#include "compute_erotate_asphere.h"
|
|
||||||
#include "compute_temp_asphere.h"
|
|
||||||
#endif
|
|
||||||
|
|
||||||
#ifdef ComputeClass
|
|
||||||
ComputeStyle(erotate/asphere,ComputeERotateAsphere)
|
|
||||||
ComputeStyle(temp/asphere,ComputeTempAsphere)
|
|
||||||
#endif
|
|
||||||
|
|
||||||
#ifdef FixInclude
|
|
||||||
#include "fix_nve_asphere.h"
|
|
||||||
#include "fix_nvt_asphere.h"
|
|
||||||
#include "fix_npt_asphere.h"
|
|
||||||
#endif
|
|
||||||
|
|
||||||
#ifdef FixClass
|
|
||||||
FixStyle(nve/asphere,FixNVEAsphere)
|
|
||||||
FixStyle(nvt/asphere,FixNVTAsphere)
|
|
||||||
FixStyle(npt/asphere,FixNPTAsphere)
|
|
||||||
#endif
|
|
||||||
|
|
||||||
#ifdef PairInclude
|
|
||||||
#include "pair_gayberne.h"
|
|
||||||
#include "pair_resquared.h"
|
|
||||||
#endif
|
|
||||||
|
|
||||||
#ifdef PairClass
|
|
||||||
PairStyle(gayberne,PairGayBerne)
|
|
||||||
PairStyle(resquared,PairRESquared)
|
|
||||||
#endif
|
|
||||||
|
|||||||
@ -1,56 +0,0 @@
|
|||||||
/* ----------------------------------------------------------------------
|
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
|
||||||
http://lammps.sandia.gov, Sandia National Laboratories
|
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
|
||||||
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
|
|
||||||
certain rights in this software. This software is distributed under
|
|
||||||
the GNU General Public License.
|
|
||||||
|
|
||||||
See the README file in the top-level LAMMPS directory.
|
|
||||||
------------------------------------------------------------------------- */
|
|
||||||
|
|
||||||
#ifdef AngleInclude
|
|
||||||
#include "angle_class2.h"
|
|
||||||
#endif
|
|
||||||
|
|
||||||
#ifdef AngleClass
|
|
||||||
AngleStyle(class2,AngleClass2)
|
|
||||||
#endif
|
|
||||||
|
|
||||||
#ifdef BondInclude
|
|
||||||
#include "bond_class2.h"
|
|
||||||
#endif
|
|
||||||
|
|
||||||
#ifdef BondClass
|
|
||||||
BondStyle(class2,BondClass2)
|
|
||||||
#endif
|
|
||||||
|
|
||||||
#ifdef DihedralInclude
|
|
||||||
#include "dihedral_class2.h"
|
|
||||||
#endif
|
|
||||||
|
|
||||||
#ifdef DihedralClass
|
|
||||||
DihedralStyle(class2,DihedralClass2)
|
|
||||||
#endif
|
|
||||||
|
|
||||||
#ifdef ImproperInclude
|
|
||||||
#include "improper_class2.h"
|
|
||||||
#endif
|
|
||||||
|
|
||||||
#ifdef ImproperClass
|
|
||||||
ImproperStyle(class2,ImproperClass2)
|
|
||||||
#endif
|
|
||||||
|
|
||||||
#ifdef PairInclude
|
|
||||||
#include "pair_lj_class2.h"
|
|
||||||
#include "pair_lj_class2_coul_cut.h"
|
|
||||||
#include "pair_lj_class2_coul_long.h"
|
|
||||||
#endif
|
|
||||||
|
|
||||||
#ifdef PairClass
|
|
||||||
PairStyle(lj/class2,PairLJClass2)
|
|
||||||
PairStyle(lj/class2/coul/cut,PairLJClass2CoulCut)
|
|
||||||
PairStyle(lj/class2/coul/long,PairLJClass2CoulLong)
|
|
||||||
#endif
|
|
||||||
|
|||||||
@ -1,22 +0,0 @@
|
|||||||
/* ----------------------------------------------------------------------
|
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
|
||||||
http://lammps.sandia.gov, Sandia National Laboratories
|
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
|
||||||
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
|
|
||||||
certain rights in this software. This software is distributed under
|
|
||||||
the GNU General Public License.
|
|
||||||
|
|
||||||
See the README file in the top-level LAMMPS directory.
|
|
||||||
------------------------------------------------------------------------- */
|
|
||||||
|
|
||||||
#ifdef PairInclude
|
|
||||||
#include "pair_colloid.h"
|
|
||||||
#include "pair_lubricate.h"
|
|
||||||
#endif
|
|
||||||
|
|
||||||
#ifdef PairClass
|
|
||||||
PairStyle(colloid,PairColloid)
|
|
||||||
PairStyle(lubricate,PairLubricate)
|
|
||||||
#endif
|
|
||||||
|
|||||||
@ -1,28 +0,0 @@
|
|||||||
/* ----------------------------------------------------------------------
|
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
|
||||||
www.cs.sandia.gov/~sjplimp/lammps.html
|
|
||||||
Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
|
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
|
||||||
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
|
|
||||||
certain rights in this software. This software is distributed under
|
|
||||||
the GNU General Public License.
|
|
||||||
|
|
||||||
See the README file in the top-level LAMMPS directory.
|
|
||||||
------------------------------------------------------------------------- */
|
|
||||||
|
|
||||||
#ifdef AtomInclude
|
|
||||||
#include "atom_vec_dipole.h"
|
|
||||||
#endif
|
|
||||||
|
|
||||||
#ifdef AtomClass
|
|
||||||
AtomStyle(dipole,AtomVecDipole)
|
|
||||||
#endif
|
|
||||||
|
|
||||||
#ifdef PairInclude
|
|
||||||
#include "pair_dipole_cut.h"
|
|
||||||
#endif
|
|
||||||
|
|
||||||
#ifdef PairClass
|
|
||||||
PairStyle(dipole/cut,PairDipoleCut)
|
|
||||||
#endif
|
|
||||||
|
|||||||
@ -1,28 +0,0 @@
|
|||||||
/* ----------------------------------------------------------------------
|
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
|
||||||
http://lammps.sandia.gov, Sandia National Laboratories
|
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
|
||||||
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
|
|
||||||
certain rights in this software. This software is distributed under
|
|
||||||
the GNU General Public License.
|
|
||||||
|
|
||||||
See the README file in the top-level LAMMPS directory.
|
|
||||||
------------------------------------------------------------------------- */
|
|
||||||
|
|
||||||
#ifdef AtomInclude
|
|
||||||
#include "atom_vec_dpd.h"
|
|
||||||
#endif
|
|
||||||
|
|
||||||
#ifdef AtomClass
|
|
||||||
AtomStyle(dpd,AtomVecDPD)
|
|
||||||
#endif
|
|
||||||
|
|
||||||
#ifdef PairInclude
|
|
||||||
#include "pair_dpd.h"
|
|
||||||
#endif
|
|
||||||
|
|
||||||
#ifdef PairClass
|
|
||||||
PairStyle(dpd,PairDPD)
|
|
||||||
#endif
|
|
||||||
|
|||||||
@ -1,46 +0,0 @@
|
|||||||
/* ----------------------------------------------------------------------
|
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
|
||||||
http://lammps.sandia.gov, Sandia National Laboratories
|
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
|
||||||
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
|
|
||||||
certain rights in this software. This software is distributed under
|
|
||||||
the GNU General Public License.
|
|
||||||
|
|
||||||
See the README file in the top-level LAMMPS directory.
|
|
||||||
------------------------------------------------------------------------- */
|
|
||||||
|
|
||||||
#ifdef AtomInclude
|
|
||||||
#include "atom_vec_granular.h"
|
|
||||||
#endif
|
|
||||||
|
|
||||||
#ifdef AtomClass
|
|
||||||
AtomStyle(granular,AtomVecGranular)
|
|
||||||
# endif
|
|
||||||
|
|
||||||
#ifdef FixInclude
|
|
||||||
#include "fix_freeze.h"
|
|
||||||
#include "fix_pour.h"
|
|
||||||
#include "fix_shear_history.h"
|
|
||||||
#include "fix_wall_gran.h"
|
|
||||||
#endif
|
|
||||||
|
|
||||||
#ifdef FixClass
|
|
||||||
FixStyle(freeze,FixFreeze)
|
|
||||||
FixStyle(pour,FixPour)
|
|
||||||
FixStyle(SHEAR_HISTORY,FixShearHistory)
|
|
||||||
FixStyle(wall/gran,FixWallGran)
|
|
||||||
#endif
|
|
||||||
|
|
||||||
#ifdef PairInclude
|
|
||||||
#include "pair_gran_hertzian.h"
|
|
||||||
#include "pair_gran_history.h"
|
|
||||||
#include "pair_gran_no_history.h"
|
|
||||||
#endif
|
|
||||||
|
|
||||||
#ifdef PairClass
|
|
||||||
PairStyle(gran/hertzian,PairGranHertzian)
|
|
||||||
PairStyle(gran/history,PairGranHistory)
|
|
||||||
PairStyle(gran/no_history,PairGranNoHistory)
|
|
||||||
#endif
|
|
||||||
|
|||||||
@ -1,20 +0,0 @@
|
|||||||
/* ----------------------------------------------------------------------
|
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
|
||||||
http://lammps.sandia.gov, Sandia National Laboratories
|
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
|
||||||
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
|
|
||||||
certain rights in this software. This software is distributed under
|
|
||||||
the GNU General Public License.
|
|
||||||
|
|
||||||
See the README file in the top-level LAMMPS directory.
|
|
||||||
------------------------------------------------------------------------- */
|
|
||||||
|
|
||||||
#ifdef PairInclude
|
|
||||||
#include "pair_meam.h"
|
|
||||||
#endif
|
|
||||||
|
|
||||||
#ifdef PairClass
|
|
||||||
PairStyle(meam,PairMEAM)
|
|
||||||
#endif
|
|
||||||
|
|||||||
@ -1,30 +0,0 @@
|
|||||||
/* ----------------------------------------------------------------------
|
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
|
||||||
http://lammps.sandia.gov, Sandia National Laboratories
|
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
|
||||||
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
|
|
||||||
certain rights in this software. This software is distributed under
|
|
||||||
the GNU General Public License.
|
|
||||||
|
|
||||||
See the README file in the top-level LAMMPS directory.
|
|
||||||
------------------------------------------------------------------------- */
|
|
||||||
|
|
||||||
#ifdef PairInclude
|
|
||||||
#include "pair_eam_opt.h"
|
|
||||||
#include "pair_eam_alloy_opt.h"
|
|
||||||
#include "pair_eam_fs_opt.h"
|
|
||||||
#include "pair_lj_charmm_coul_long_opt.h"
|
|
||||||
#include "pair_lj_cut_opt.h"
|
|
||||||
#include "pair_morse_opt.h"
|
|
||||||
#endif
|
|
||||||
|
|
||||||
#ifdef PairClass
|
|
||||||
PairStyle(eam/opt,PairEAMOpt)
|
|
||||||
PairStyle(eam/alloy/opt,PairEAMAlloyOpt)
|
|
||||||
PairStyle(eam/fs/opt,PairEAMFSOpt)
|
|
||||||
PairStyle(lj/cut/opt,PairLJCutOpt)
|
|
||||||
PairStyle(lj/charmm/coul/long/opt,PairLJCharmmCoulLongOpt)
|
|
||||||
PairStyle(morse/opt,PairMorseOpt)
|
|
||||||
#endif
|
|
||||||
|
|||||||
@ -1,20 +0,0 @@
|
|||||||
/* ----------------------------------------------------------------------
|
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
|
||||||
http://lammps.sandia.gov, Sandia National Laboratories
|
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
|
||||||
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
|
|
||||||
certain rights in this software. This software is distributed under
|
|
||||||
the GNU General Public License.
|
|
||||||
|
|
||||||
See the README file in the top-level LAMMPS directory.
|
|
||||||
------------------------------------------------------------------------- */
|
|
||||||
|
|
||||||
#ifdef FixInclude
|
|
||||||
#include "fix_poems.h"
|
|
||||||
#endif
|
|
||||||
|
|
||||||
#ifdef FixClass
|
|
||||||
FixStyle(poems,FixPOEMS)
|
|
||||||
#endif
|
|
||||||
|
|||||||
@ -1,20 +0,0 @@
|
|||||||
/* ----------------------------------------------------------------------
|
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
|
||||||
http://lammps.sandia.gov, Sandia National Laboratories
|
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
|
||||||
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
|
|
||||||
certain rights in this software. This software is distributed under
|
|
||||||
the GNU General Public License.
|
|
||||||
|
|
||||||
See the README file in the top-level LAMMPS directory.
|
|
||||||
------------------------------------------------------------------------- */
|
|
||||||
|
|
||||||
#ifdef DumpInclude
|
|
||||||
#include "dump_xtc.h"
|
|
||||||
#endif
|
|
||||||
|
|
||||||
#ifdef DumpClass
|
|
||||||
DumpStyle(xtc,DumpXTC)
|
|
||||||
#endif
|
|
||||||
|
|||||||
Reference in New Issue
Block a user