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lammps-sys-0.6.0
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lammps-sys 0.6.0
Generates bindings to LAMMPS' C interface (with optional builds from source)
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ASPHERE
BODY
CLASS2
COLLOID
COMPRESS
CORESHELL
DEPEND
DIPOLE
GPU
GRANULAR
KIM
KOKKOS
KSPACE
LATTE
MAKE
MANYBODY
MC
MESSAGE
MISC
MOLECULE
MPIIO
MSCG
OPT
PERI
POEMS
PYTHON
QEQ
REPLICA
RIGID
SHOCK
SNAP
SPIN
SRD
STUBS
USER-ADIOS
USER-ATC
USER-AWPMD
USER-BOCS
USER-CGDNA
USER-CGSDK
USER-COLVARS
USER-DIFFRACTION
USER-DPD
USER-DRUDE
USER-EFF
USER-FEP
USER-H5MD
USER-INTEL
USER-LB
USER-MANIFOLD
USER-MEAMC
USER-MESO
USER-MGPT
USER-MISC
USER-MOFFF
USER-MOLFILE
USER-NETCDF
USER-OMP
USER-PHONON
USER-PLUMED
USER-PTM
USER-QMMM
USER-QTB
USER-QUIP
USER-REAXC
USER-SCAFACOS
USER-SDPD
USER-SMD
USER-SMTBQ
USER-SPH
USER-TALLY
USER-UEF
USER-VTK
USER-YAFF
VORONOI
.gitignore
accelerator_kokkos.h
accelerator_omp.h
angle.cpp
angle.h
angle_deprecated.cpp
angle_deprecated.h
angle_hybrid.cpp
angle_hybrid.h
angle_zero.cpp
angle_zero.h
atom.cpp
atom.h
atom_map.cpp
atom_map.h
atom_masks.h
atom_vec.cpp
atom_vec.h
atom_vec_atomic.cpp
atom_vec_atomic.h
atom_vec_body.cpp
atom_vec_body.h
atom_vec_charge.cpp
atom_vec_charge.h
atom_vec_ellipsoid.cpp
atom_vec_ellipsoid.h
atom_vec_hybrid.cpp
atom_vec_hybrid.h
atom_vec_line.cpp
atom_vec_line.h
atom_vec_sphere.cpp
atom_vec_sphere.h
atom_vec_tri.cpp
atom_vec_tri.h
balance.cpp
balance.h
body.cpp
body.h
bond.cpp
bond.h
bond_deprecated.cpp
bond_deprecated.h
bond_hybrid.cpp
bond_hybrid.h
bond_zero.cpp
bond_zero.h
change_box.cpp
change_box.h
citeme.cpp
citeme.h
comm.cpp
comm.h
comm_brick.cpp
comm_brick.h
comm_tiled.cpp
comm_tiled.h
compute.cpp
compute.h
compute_adf.cpp
compute_adf.h
compute_aggregate_atom.cpp
compute_aggregate_atom.h
compute_angle.cpp
compute_angle.h
compute_angle_local.cpp
compute_angle_local.h
compute_angmom_chunk.cpp
compute_angmom_chunk.h
compute_bond.cpp
compute_bond.h
compute_bond_local.cpp
compute_bond_local.h
compute_centro_atom.cpp
compute_centro_atom.h
compute_chunk_atom.cpp
compute_chunk_atom.h
compute_chunk_spread_atom.cpp
compute_chunk_spread_atom.h
compute_cluster_atom.cpp
compute_cluster_atom.h
compute_cna_atom.cpp
compute_cna_atom.h
compute_com.cpp
compute_com.h
compute_com_chunk.cpp
compute_com_chunk.h
compute_contact_atom.cpp
compute_contact_atom.h
compute_coord_atom.cpp
compute_coord_atom.h
compute_deprecated.cpp
compute_deprecated.h
compute_dihedral.cpp
compute_dihedral.h
compute_dihedral_local.cpp
compute_dihedral_local.h
compute_dipole_chunk.cpp
compute_dipole_chunk.h
compute_displace_atom.cpp
compute_displace_atom.h
compute_erotate_sphere.cpp
compute_erotate_sphere.h
compute_erotate_sphere_atom.cpp
compute_erotate_sphere_atom.h
compute_fragment_atom.cpp
compute_fragment_atom.h
compute_global_atom.cpp
compute_global_atom.h
compute_group_group.cpp
compute_group_group.h
compute_gyration.cpp
compute_gyration.h
compute_gyration_chunk.cpp
compute_gyration_chunk.h
compute_heat_flux.cpp
compute_heat_flux.h
compute_hexorder_atom.cpp
compute_hexorder_atom.h
compute_improper.cpp
compute_improper.h
compute_improper_local.cpp
compute_improper_local.h
compute_inertia_chunk.cpp
compute_inertia_chunk.h
compute_ke.cpp
compute_ke.h
compute_ke_atom.cpp
compute_ke_atom.h
compute_msd.cpp
compute_msd.h
compute_msd_chunk.cpp
compute_msd_chunk.h
compute_omega_chunk.cpp
compute_omega_chunk.h
compute_orientorder_atom.cpp
compute_orientorder_atom.h
compute_pair.cpp
compute_pair.h
compute_pair_local.cpp
compute_pair_local.h
compute_pe.cpp
compute_pe.h
compute_pe_atom.cpp
compute_pe_atom.h
compute_pressure.cpp
compute_pressure.h
compute_property_atom.cpp
compute_property_atom.h
compute_property_chunk.cpp
compute_property_chunk.h
compute_property_local.cpp
compute_property_local.h
compute_rdf.cpp
compute_rdf.h
compute_reduce.cpp
compute_reduce.h
compute_reduce_chunk.cpp
compute_reduce_chunk.h
compute_reduce_region.cpp
compute_reduce_region.h
compute_slice.cpp
compute_slice.h
compute_stress_atom.cpp
compute_stress_atom.h
compute_temp.cpp
compute_temp.h
compute_temp_chunk.cpp
compute_temp_chunk.h
compute_temp_com.cpp
compute_temp_com.h
compute_temp_deform.cpp
compute_temp_deform.h
compute_temp_partial.cpp
compute_temp_partial.h
compute_temp_profile.cpp
compute_temp_profile.h
compute_temp_ramp.cpp
compute_temp_ramp.h
compute_temp_region.cpp
compute_temp_region.h
compute_temp_sphere.cpp
compute_temp_sphere.h
compute_torque_chunk.cpp
compute_torque_chunk.h
compute_vacf.cpp
compute_vacf.h
compute_vcm_chunk.cpp
compute_vcm_chunk.h
create_atoms.cpp
create_atoms.h
create_bonds.cpp
create_bonds.h
create_box.cpp
create_box.h
delete_atoms.cpp
delete_atoms.h
delete_bonds.cpp
delete_bonds.h
Depend.sh
deprecated.cpp
deprecated.h
dihedral.cpp
dihedral.h
dihedral_deprecated.cpp
dihedral_deprecated.h
dihedral_hybrid.cpp
dihedral_hybrid.h
dihedral_zero.cpp
dihedral_zero.h
displace_atoms.cpp
displace_atoms.h
domain.cpp
domain.h
dump.cpp
dump.h
dump_atom.cpp
dump_atom.h
dump_cfg.cpp
dump_cfg.h
dump_custom.cpp
dump_custom.h
dump_dcd.cpp
dump_dcd.h
dump_deprecated.cpp
dump_deprecated.h
dump_image.cpp
dump_image.h
dump_local.cpp
dump_local.h
dump_movie.cpp
dump_movie.h
dump_xyz.cpp
dump_xyz.h
error.cpp
error.h
exceptions.h
finish.cpp
finish.h
fix.cpp
fix.h
fix_adapt.cpp
fix_adapt.h
fix_addforce.cpp
fix_addforce.h
fix_ave_atom.cpp
fix_ave_atom.h
fix_ave_chunk.cpp
fix_ave_chunk.h
fix_ave_correlate.cpp
fix_ave_correlate.h
fix_ave_histo.cpp
fix_ave_histo.h
fix_ave_histo_weight.cpp
fix_ave_histo_weight.h
fix_ave_time.cpp
fix_ave_time.h
fix_aveforce.cpp
fix_aveforce.h
fix_balance.cpp
fix_balance.h
fix_box_relax.cpp
fix_box_relax.h
fix_controller.cpp
fix_controller.h
fix_deform.cpp
fix_deform.h
fix_deprecated.cpp
fix_deprecated.h
fix_drag.cpp
fix_drag.h
fix_dt_reset.cpp
fix_dt_reset.h
fix_enforce2d.cpp
fix_enforce2d.h
fix_external.cpp
fix_external.h
fix_gravity.cpp
fix_gravity.h
fix_group.cpp
fix_group.h
fix_halt.cpp
fix_halt.h
fix_heat.cpp
fix_heat.h
fix_indent.cpp
fix_indent.h
fix_langevin.cpp
fix_langevin.h
fix_lineforce.cpp
fix_lineforce.h
fix_minimize.cpp
fix_minimize.h
fix_momentum.cpp
fix_momentum.h
fix_move.cpp
fix_move.h
fix_neigh_history.cpp
fix_neigh_history.h
fix_nh.cpp
fix_nh.h
fix_nh_sphere.cpp
fix_nh_sphere.h
fix_nph.cpp
fix_nph.h
fix_nph_sphere.cpp
fix_nph_sphere.h
fix_npt.cpp
fix_npt.h
fix_npt_sphere.cpp
fix_npt_sphere.h
fix_nve.cpp
fix_nve.h
fix_nve_limit.cpp
fix_nve_limit.h
fix_nve_noforce.cpp
fix_nve_noforce.h
fix_nve_sphere.cpp
fix_nve_sphere.h
fix_nvt.cpp
fix_nvt.h
fix_nvt_sllod.cpp
fix_nvt_sllod.h
fix_nvt_sphere.cpp
fix_nvt_sphere.h
fix_planeforce.cpp
fix_planeforce.h
fix_press_berendsen.cpp
fix_press_berendsen.h
fix_print.cpp
fix_print.h
fix_property_atom.cpp
fix_property_atom.h
fix_read_restart.cpp
fix_read_restart.h
fix_recenter.cpp
fix_recenter.h
fix_respa.cpp
fix_respa.h
fix_restrain.cpp
fix_restrain.h
fix_setforce.cpp
fix_setforce.h
fix_spring.cpp
fix_spring.h
fix_spring_chunk.cpp
fix_spring_chunk.h
fix_spring_rg.cpp
fix_spring_rg.h
fix_spring_self.cpp
fix_spring_self.h
fix_store.cpp
fix_store.h
fix_store_force.cpp
fix_store_force.h
fix_store_state.cpp
fix_store_state.h
fix_temp_berendsen.cpp
fix_temp_berendsen.h
fix_temp_csld.cpp
fix_temp_csld.h
fix_temp_csvr.cpp
fix_temp_csvr.h
fix_temp_rescale.cpp
fix_temp_rescale.h
fix_tmd.cpp
fix_tmd.h
fix_vector.cpp
fix_vector.h
fix_viscous.cpp
fix_viscous.h
fix_wall.cpp
fix_wall.h
fix_wall_harmonic.cpp
fix_wall_harmonic.h
fix_wall_lj1043.cpp
fix_wall_lj1043.h
fix_wall_lj126.cpp
fix_wall_lj126.h
fix_wall_lj93.cpp
fix_wall_lj93.h
fix_wall_reflect.cpp
fix_wall_reflect.h
fix_wall_region.cpp
fix_wall_region.h
force.cpp
force.h
group.cpp
group.h
hashlittle.cpp
hashlittle.h
image.cpp
image.h
imbalance.cpp
imbalance.h
imbalance_group.cpp
imbalance_group.h
imbalance_neigh.cpp
imbalance_neigh.h
imbalance_store.cpp
imbalance_store.h
imbalance_time.cpp
imbalance_time.h
imbalance_var.cpp
imbalance_var.h
improper.cpp
improper.h
improper_deprecated.cpp
improper_deprecated.h
improper_hybrid.cpp
improper_hybrid.h
improper_zero.cpp
improper_zero.h
info.cpp
info.h
input.cpp
input.h
Install.sh
integrate.cpp
integrate.h
irregular.cpp
irregular.h
kspace.cpp
kspace.h
kspace_deprecated.cpp
kspace_deprecated.h
lammps.cpp
lammps.h
lattice.cpp
lattice.h
library.cpp
library.h
lmppython.cpp
lmppython.h
lmptype.h
lmpwindows.h
main.cpp
Make.sh
Makefile
Makefile.list
Makefile.package.empty
Makefile.package.settings.empty
math_complex.h
math_const.h
math_extra.cpp
math_extra.h
math_special.cpp
math_special.h
math_vector.h
memory.cpp
memory.h
mergesort.h
min.cpp
min.h
min_cg.cpp
min_cg.h
min_fire.cpp
min_fire.h
min_hftn.cpp
min_hftn.h
min_linesearch.cpp
min_linesearch.h
min_quickmin.cpp
min_quickmin.h
min_sd.cpp
min_sd.h
minimize.cpp
minimize.h
modify.cpp
modify.h
molecule.cpp
molecule.h
mpiio.h
my_page.h
my_pool_chunk.h
nbin.cpp
nbin.h
nbin_standard.cpp
nbin_standard.h
neigh_list.cpp
neigh_list.h
neigh_request.cpp
neigh_request.h
neighbor.cpp
neighbor.h
npair.cpp
npair.h
npair_copy.cpp
npair_copy.h
npair_full_bin.cpp
npair_full_bin.h
npair_full_bin_atomonly.cpp
npair_full_bin_atomonly.h
npair_full_bin_ghost.cpp
npair_full_bin_ghost.h
npair_full_multi.cpp
npair_full_multi.h
npair_full_nsq.cpp
npair_full_nsq.h
npair_full_nsq_ghost.cpp
npair_full_nsq_ghost.h
npair_half_bin_atomonly_newton.cpp
npair_half_bin_atomonly_newton.h
npair_half_bin_newtoff.cpp
npair_half_bin_newtoff.h
npair_half_bin_newtoff_ghost.cpp
npair_half_bin_newtoff_ghost.h
npair_half_bin_newton.cpp
npair_half_bin_newton.h
npair_half_bin_newton_tri.cpp
npair_half_bin_newton_tri.h
npair_half_multi_newtoff.cpp
npair_half_multi_newtoff.h
npair_half_multi_newton.cpp
npair_half_multi_newton.h
npair_half_multi_newton_tri.cpp
npair_half_multi_newton_tri.h
npair_half_nsq_newtoff.cpp
npair_half_nsq_newtoff.h
npair_half_nsq_newtoff_ghost.cpp
npair_half_nsq_newtoff_ghost.h
npair_half_nsq_newton.cpp
npair_half_nsq_newton.h
npair_half_respa_bin_newtoff.cpp
npair_half_respa_bin_newtoff.h
npair_half_respa_bin_newton.cpp
npair_half_respa_bin_newton.h
npair_half_respa_bin_newton_tri.cpp
npair_half_respa_bin_newton_tri.h
npair_half_respa_nsq_newtoff.cpp
npair_half_respa_nsq_newtoff.h
npair_half_respa_nsq_newton.cpp
npair_half_respa_nsq_newton.h
npair_half_size_bin_newtoff.cpp
npair_half_size_bin_newtoff.h
npair_half_size_bin_newton.cpp
npair_half_size_bin_newton.h
npair_half_size_bin_newton_tri.cpp
npair_half_size_bin_newton_tri.h
npair_half_size_nsq_newtoff.cpp
npair_half_size_nsq_newtoff.h
npair_half_size_nsq_newton.cpp
npair_half_size_nsq_newton.h
npair_halffull_newtoff.cpp
npair_halffull_newtoff.h
npair_halffull_newton.cpp
npair_halffull_newton.h
npair_skip.cpp
npair_skip.h
npair_skip_respa.cpp
npair_skip_respa.h
npair_skip_size.cpp
npair_skip_size.h
npair_skip_size_off2on.cpp
npair_skip_size_off2on.h
npair_skip_size_off2on_oneside.cpp
npair_skip_size_off2on_oneside.h
nstencil.cpp
nstencil.h
nstencil_full_bin_2d.cpp
nstencil_full_bin_2d.h
nstencil_full_bin_3d.cpp
nstencil_full_bin_3d.h
nstencil_full_ghost_bin_2d.cpp
nstencil_full_ghost_bin_2d.h
nstencil_full_ghost_bin_3d.cpp
nstencil_full_ghost_bin_3d.h
nstencil_full_multi_2d.cpp
nstencil_full_multi_2d.h
nstencil_full_multi_3d.cpp
nstencil_full_multi_3d.h
nstencil_half_bin_2d_newtoff.cpp
nstencil_half_bin_2d_newtoff.h
nstencil_half_bin_2d_newton.cpp
nstencil_half_bin_2d_newton.h
nstencil_half_bin_2d_newton_tri.cpp
nstencil_half_bin_2d_newton_tri.h
nstencil_half_bin_3d_newtoff.cpp
nstencil_half_bin_3d_newtoff.h
nstencil_half_bin_3d_newton.cpp
nstencil_half_bin_3d_newton.h
nstencil_half_bin_3d_newton_tri.cpp
nstencil_half_bin_3d_newton_tri.h
nstencil_half_ghost_bin_2d_newtoff.cpp
nstencil_half_ghost_bin_2d_newtoff.h
nstencil_half_ghost_bin_3d_newtoff.cpp
nstencil_half_ghost_bin_3d_newtoff.h
nstencil_half_multi_2d_newtoff.cpp
nstencil_half_multi_2d_newtoff.h
nstencil_half_multi_2d_newton.cpp
nstencil_half_multi_2d_newton.h
nstencil_half_multi_2d_newton_tri.cpp
nstencil_half_multi_2d_newton_tri.h
nstencil_half_multi_3d_newtoff.cpp
nstencil_half_multi_3d_newtoff.h
nstencil_half_multi_3d_newton.cpp
nstencil_half_multi_3d_newton.h
nstencil_half_multi_3d_newton_tri.cpp
nstencil_half_multi_3d_newton_tri.h
ntopo.cpp
ntopo.h
ntopo_angle_all.cpp
ntopo_angle_all.h
ntopo_angle_partial.cpp
ntopo_angle_partial.h
ntopo_angle_template.cpp
ntopo_angle_template.h
ntopo_bond_all.cpp
ntopo_bond_all.h
ntopo_bond_partial.cpp
ntopo_bond_partial.h
ntopo_bond_template.cpp
ntopo_bond_template.h
ntopo_dihedral_all.cpp
ntopo_dihedral_all.h
ntopo_dihedral_partial.cpp
ntopo_dihedral_partial.h
ntopo_dihedral_template.cpp
ntopo_dihedral_template.h
ntopo_improper_all.cpp
ntopo_improper_all.h
ntopo_improper_partial.cpp
ntopo_improper_partial.h
ntopo_improper_template.cpp
ntopo_improper_template.h
output.cpp
output.h
pack.h
Package.sh
pair.cpp
pair.h
pair_beck.cpp
pair_beck.h
pair_born.cpp
pair_born.h
pair_born_coul_dsf.cpp
pair_born_coul_dsf.h
pair_born_coul_wolf.cpp
pair_born_coul_wolf.h
pair_buck.cpp
pair_buck.h
pair_buck_coul_cut.cpp
pair_buck_coul_cut.h
pair_coul_cut.cpp
pair_coul_cut.h
pair_coul_debye.cpp
pair_coul_debye.h
pair_coul_dsf.cpp
pair_coul_dsf.h
pair_coul_streitz.cpp
pair_coul_streitz.h
pair_coul_wolf.cpp
pair_coul_wolf.h
pair_deprecated.cpp
pair_deprecated.h
pair_dpd.cpp
pair_dpd.h
pair_dpd_tstat.cpp
pair_dpd_tstat.h
pair_gauss.cpp
pair_gauss.h
pair_hybrid.cpp
pair_hybrid.h
pair_hybrid_overlay.cpp
pair_hybrid_overlay.h
pair_lj96_cut.cpp
pair_lj96_cut.h
pair_lj_cubic.cpp
pair_lj_cubic.h
pair_lj_cut.cpp
pair_lj_cut.h
pair_lj_cut_coul_cut.cpp
pair_lj_cut_coul_cut.h
pair_lj_cut_coul_debye.cpp
pair_lj_cut_coul_debye.h
pair_lj_cut_coul_dsf.cpp
pair_lj_cut_coul_dsf.h
pair_lj_cut_coul_wolf.cpp
pair_lj_cut_coul_wolf.h
pair_lj_expand.cpp
pair_lj_expand.h
pair_lj_gromacs.cpp
pair_lj_gromacs.h
pair_lj_gromacs_coul_gromacs.cpp
pair_lj_gromacs_coul_gromacs.h
pair_lj_smooth.cpp
pair_lj_smooth.h
pair_lj_smooth_linear.cpp
pair_lj_smooth_linear.h
pair_mie_cut.cpp
pair_mie_cut.h
pair_morse.cpp
pair_morse.h
pair_soft.cpp
pair_soft.h
pair_table.cpp
pair_table.h
pair_ufm.cpp
pair_ufm.h
pair_yukawa.cpp
pair_yukawa.h
pair_zbl.cpp
pair_zbl.h
pair_zero.cpp
pair_zero.h
pointers.h
procmap.cpp
procmap.h
Purge.list
random_mars.cpp
random_mars.h
random_park.cpp
random_park.h
rcb.cpp
rcb.h
read_data.cpp
read_data.h
read_dump.cpp
read_dump.h
read_restart.cpp
read_restart.h
reader.cpp
reader.h
reader_native.cpp
reader_native.h
reader_xyz.cpp
reader_xyz.h
region.cpp
region.h
region_block.cpp
region_block.h
region_cone.cpp
region_cone.h
region_cylinder.cpp
region_cylinder.h
region_deprecated.cpp
region_deprecated.h
region_intersect.cpp
region_intersect.h
region_plane.cpp
region_plane.h
region_prism.cpp
region_prism.h
region_sphere.cpp
region_sphere.h
region_union.cpp
region_union.h
replicate.cpp
replicate.h
rerun.cpp
rerun.h
reset_ids.cpp
reset_ids.h
respa.cpp
respa.h
run.cpp
run.h
set.cpp
set.h
special.cpp
special.h
suffix.h
thermo.cpp
thermo.h
timer.cpp
timer.h
universe.cpp
universe.h
update.cpp
update.h
utils.cpp
utils.h
variable.cpp
variable.h
velocity.cpp
velocity.h
verlet.cpp
verlet.h
version.h
write_coeff.cpp
write_coeff.h
write_data.cpp
write_data.h
write_dump.cpp
write_dump.h
write_restart.cpp
write_restart.h
1
#define
LAMMPS_VERSION
"
7 Aug 2019
"