diff --git a/doc/Section_errors.txt b/doc/Section_errors.txt index ebe1f90f1f..95bb3db422 100644 --- a/doc/Section_errors.txt +++ b/doc/Section_errors.txt @@ -6155,7 +6155,7 @@ This is because fix move is moving atoms based on elapsed time. :dd The first cutoff must be <= the second cutoff. :dd -{Respa levels must be >= 1} :dt +{Respa levels must be > 1} :dt Self-explanatory. :dd diff --git a/doc/run_style.txt b/doc/run_style.txt index b683f9c3c1..7c1deb744f 100644 --- a/doc/run_style.txt +++ b/doc/run_style.txt @@ -12,7 +12,7 @@ run_style command :h3 run_style style args :pre -style = {verlet} or {verlet/split} or {respa} :ulb,l +style = {verlet} or {verlet/split} or {respa} or {respa/omp} :ulb,l {verlet} args = none {verlet/split} args = none {respa} args = N n1 n2 ... keyword values ... @@ -230,6 +230,28 @@ run_style respa 3 3 4 inner 1 3.0 4.0 middle 2 6.0 7.0 outer 3 :pre :line +The {respa/omp} styles is a variant of {respa} adapted for use with +pair, bond, angle, dihedral, improper, or kspace styles with an {omp} +suffix. It is functionally to {respa} but performs additional required +operations. For more on {omp} styles see the +"Section_accelerate"_Section_accelerate.html of the manual. +Accelerated styles take the same arguments and should produce the same +results, except for round-off and precision issues. + +The {respa/omp} style is part of the USER-OMP packages. It is only +enabled if LAMMPS was built with this package included. See the +"Making LAMMPS"_Section_start.html#start_3 section for more info. + +You can specify {respa/omp} explicitly in your input script, or +you can use the "-suffix command-line switch"_Section_start.html#start_7 +when you invoke LAMMPS, or you can use the "suffix"_suffix.html +command in your input script. + +See "Section_accelerate"_Section_accelerate.html of the manual for +more instructions on how to use the accelerated styles effectively. + +:line + [Restrictions:] The {verlet/split} style can only be used if LAMMPS was built with the diff --git a/lammps.book b/lammps.book index aad179691a..c42d95acfb 100644 --- a/lammps.book +++ b/lammps.book @@ -36,7 +36,7 @@ doc/angle_table.html doc/atom_modify.html doc/atom_style.html doc/balance.html -doc/box.html +doc/body.html doc/bond_class2.html doc/bond_coeff.html doc/bond_fene_expand.html @@ -51,6 +51,7 @@ doc/bond_nonlinear.html doc/bond_quartic.html doc/bond_style.html doc/bond_table.html +doc/box.html doc/boundary.html doc/change_box.html doc/clear.html @@ -60,6 +61,7 @@ doc/compute_modify.html doc/compute_ackland_atom.html doc/compute_angle_local.html doc/compute_atom_molecule.html +doc/compute_body_local.html doc/compute_bond_local.html doc/compute_centro_atom.html doc/compute_cluster_atom.html @@ -198,6 +200,7 @@ doc/fix_nve.html doc/fix_nve_eff.html doc/fix_nve_asphere.html doc/fix_nve_asphere_noforce.html +doc/fix_nve_body.html doc/fix_nve_limit.html doc/fix_nve_line.html doc/fix_nve_noforce.html @@ -223,6 +226,7 @@ doc/fix_rigid.html doc/fix_setforce.html doc/fix_shake.html doc/fix_smd.html +doc/fix_species.html doc/fix_spring.html doc/fix_spring_rg.html doc/fix_spring_self.html @@ -280,6 +284,7 @@ doc/pair_adp.html doc/pair_airebo.html doc/pair_awpmd.html doc/pair_beck.html +doc/pair_body.html doc/pair_bop.html doc/pair_born.html doc/pair_brownian.html