diff --git a/doc/src/fix_atc.rst b/doc/src/fix_atc.rst index 2c2f474c93..935a951d17 100644 --- a/doc/src/fix_atc.rst +++ b/doc/src/fix_atc.rst @@ -143,97 +143,97 @@ Related commands After specifying this fix in your input script, several other :doc:`fix_modify ` commands are used to setup the problem, e.g. define the finite element mesh and prescribe initial and boundary conditions. -fix\_modify commands for setup: +*fix\_modify* commands for setup: -* `fix\_modify AtC mesh create `_ -* `fix\_modify AtC mesh quadrature `_ -* `fix\_modify AtC mesh read `_ -* `fix\_modify AtC mesh write `_ -* `fix\_modify AtC mesh create\_nodeset `_ -* `fix\_modify AtC mesh add\_to\_nodeset `_ -* `fix\_modify AtC mesh create\_faceset box `_ -* `fix\_modify AtC mesh create\_faceset plane `_ -* `fix\_modify AtC mesh create\_elementset `_ -* `fix\_modify AtC mesh delete\_elements `_ -* `fix\_modify AtC mesh nodeset\_to\_elementset `_ -* `fix\_modify AtC boundary `_ -* `fix\_modify AtC internal\_quadrature `_ -* `fix\_modify AtC time\_integration (thermal) `_ -* `fix\_modify AtC time\_integration (momentum) `_ -* `fix\_modify AtC extrinsic electron\_integration `_ -* `fix\_modify AtC internal\_element\_set `_ -* `fix\_modify AtC decomposition `_ +* `fix_modify AtC mesh create `_ +* `fix_modify AtC mesh quadrature `_ +* `fix_modify AtC mesh read `_ +* `fix_modify AtC mesh write `_ +* `fix_modify AtC mesh create_nodeset `_ +* `fix_modify AtC mesh add_to_nodeset `_ +* `fix_modify AtC mesh create_faceset box `_ +* `fix_modify AtC mesh create_faceset plane `_ +* `fix_modify AtC mesh create_elementset `_ +* `fix_modify AtC mesh delete_elements `_ +* `fix_modify AtC mesh nodeset_to_elementset `_ +* `fix_modify AtC boundary `_ +* `fix_modify AtC internal_quadrature `_ +* `fix_modify AtC time_integration (thermal) `_ +* `fix_modify AtC time_integration (momentum) `_ +* `fix_modify AtC extrinsic electron_integration `_ +* `fix_modify AtC internal_element_set `_ +* `fix_modify AtC decomposition `_ -fix\_modify commands for boundary and initial conditions: +*fix\_modify* commands for boundary and initial conditions: -* `fix\_modify AtC initial `_ -* `fix\_modify AtC fix `_ -* `fix\_modify AtC unfix `_ -* `fix\_modify AtC fix\_flux `_ -* `fix\_modify AtC unfix\_flux `_ -* `fix\_modify AtC source `_ -* `fix\_modify AtC remove\_source `_ +* `fix_modify AtC initial `_ +* `fix_modify AtC fix `_ +* `fix_modify AtC unfix `_ +* `fix_modify AtC fix_flux `_ +* `fix_modify AtC unfix_flux `_ +* `fix_modify AtC source `_ +* `fix_modify AtC remove_source `_ -fix\_modify commands for control and filtering: +*fix\_modify* commands for control and filtering: -* `fix\_modify AtC control `_ -* `fix\_modify AtC control thermal `_ -* `fix\_modify AtC control thermal correction\_max\_iterations `_ -* `fix\_modify AtC control momentum `_ -* `fix\_modify AtC control localized\_lambda `_ -* `fix\_modify AtC control lumped\_lambda\_solve `_ -* `fix\_modify AtC control mask\_direction `_ control -* `fix\_modify AtC filter `_ -* `fix\_modify AtC filter scale `_ -* `fix\_modify AtC filter type `_ -* `fix\_modify AtC equilibrium\_start `_ -* `fix\_modify AtC extrinsic exchange `_ -* `fix\_modify AtC poisson\_solver `_ +* `fix_modify AtC control `_ +* `fix_modify AtC control thermal `_ +* `fix_modify AtC control thermal correction_max_iterations `_ +* `fix_modify AtC control momentum `_ +* `fix_modify AtC control localized_lambda `_ +* `fix_modify AtC control lumped_lambda_solve `_ +* `fix_modify AtC control mask_direction `_ control +* `fix_modify AtC filter `_ +* `fix_modify AtC filter scale `_ +* `fix_modify AtC filter type `_ +* `fix_modify AtC equilibrium_start `_ +* `fix_modify AtC extrinsic exchange `_ +* `fix_modify AtC poisson_solver `_ -fix\_modify commands for output: +*fix\_modify* commands for output: -* `fix\_modify AtC output `_ -* `fix\_modify AtC output nodeset `_ -* `fix\_modify AtC output elementset `_ -* `fix\_modify AtC output boundary\_integral `_ -* `fix\_modify AtC output contour\_integral `_ -* `fix\_modify AtC mesh output `_ -* `fix\_modify AtC write\_restart `_ -* `fix\_modify AtC read\_restart `_ +* `fix_modify AtC output `_ +* `fix_modify AtC output nodeset `_ +* `fix_modify AtC output elementset `_ +* `fix_modify AtC output boundary_integral `_ +* `fix_modify AtC output contour_integral `_ +* `fix_modify AtC mesh output `_ +* `fix_modify AtC write_restart `_ +* `fix_modify AtC read_restart `_ -fix\_modify commands for post-processing: +*fix\_modify* commands for post-processing: -* `fix\_modify AtC kernel `_ -* `fix\_modify AtC fields `_ -* `fix\_modify AtC grdients `_ -* `fix\_modify AtC rates `_ -* `fix\_modify AtC computes `_ -* `fix\_modify AtC on\_the\_fly `_ -* `fix\_modify AtC pair\_interactions/bond\_interactions `_ -* `fix\_modify AtC sample\_frequency `_ -* `fix\_modify AtC set `_ +* `fix_modify AtC kernel `_ +* `fix_modify AtC fields `_ +* `fix_modify AtC grdients `_ +* `fix_modify AtC rates `_ +* `fix_modify AtC computes `_ +* `fix_modify AtC on_the_fly `_ +* `fix_modify AtC pair_interactions/bond_interactions `_ +* `fix_modify AtC sample_frequency `_ +* `fix_modify AtC set `_ -miscellaneous fix\_modify commands: +miscellaneous *fix\_modify* commands: -* `fix\_modify AtC atom\_element\_map `_ -* `fix\_modify AtC atom\_weight `_ -* `fix\_modify AtC write\_atom\_weights `_ -* `fix\_modify AtC reset\_time `_ -* `fix\_modify AtC reset\_atomic\_reference\_positions `_ -* `fix\_modify AtC fe\_md\_boundary `_ -* `fix\_modify AtC boundary\_faceset `_ -* `fix\_modify AtC consistent\_fe\_initialization `_ -* `fix\_modify AtC mass\_matrix `_ -* `fix\_modify AtC material `_ -* `fix\_modify AtC atomic\_charge `_ -* `fix\_modify AtC source\_integration `_ -* `fix\_modify AtC temperature\_definition `_ -* `fix\_modify AtC track\_displacement `_ -* `fix\_modify AtC boundary\_dynamics `_ -* `fix\_modify AtC add\_species `_ -* `fix\_modify AtC add\_molecule `_ -* `fix\_modify AtC remove\_species `_ -* `fix\_modify AtC remove\_molecule `_ +* `fix_modify AtC atom_element_map `_ +* `fix_modify AtC atom_weight `_ +* `fix_modify AtC write_atom_weights `_ +* `fix_modify AtC reset_time `_ +* `fix_modify AtC reset_atomic_reference_positions `_ +* `fix_modify AtC fe_md_boundary `_ +* `fix_modify AtC boundary_faceset `_ +* `fix_modify AtC consistent_fe_initialization `_ +* `fix_modify AtC mass_matrix `_ +* `fix_modify AtC material `_ +* `fix_modify AtC atomic_charge `_ +* `fix_modify AtC source_integration `_ +* `fix_modify AtC temperature_definition `_ +* `fix_modify AtC track_displacement `_ +* `fix_modify AtC boundary_dynamics `_ +* `fix_modify AtC add_species `_ +* `fix_modify AtC add_molecule `_ +* `fix_modify AtC remove_species `_ +* `fix_modify AtC remove_molecule `_ Note: a set of example input files with the attendant material files are included with this package diff --git a/doc/src/fix_wall_gran.rst b/doc/src/fix_wall_gran.rst index bb06aec0f6..a939659b02 100644 --- a/doc/src/fix_wall_gran.rst +++ b/doc/src/fix_wall_gran.rst @@ -83,17 +83,18 @@ close enough to touch it. The nature of the wall/particle interactions are determined by the *fstyle* setting. It can be any of the styles defined by the -:doc:`pair_style gran/\* ` or the more general `pair\_style granular `_ commands. Currently the options are -*hooke*\ , *hooke/history*\ , or *hertz/history* for the former, and -*granular* with all the possible options of the associated +:doc:`pair_style gran/\* ` or the more general +:doc:`pair_style granular ` commands. Currently the +options are *hooke*\ , *hooke/history*\ , or *hertz/history* for the +former, and *granular* with all the possible options of the associated *pair\_coeff* command for the latter. The equation for the force between the wall and particles touching it is the same as the corresponding equation on the :doc:`pair_style gran/\* ` and :doc:`pair_style granular ` doc pages, in the limit of -one of the two particles going to infinite radius and mass (flat -wall). Specifically, delta = radius - r = overlap of particle with -wall, m\_eff = mass of particle, and the effective radius of contact = -RiRj/Ri+Rj is set to the radius of the particle. +one of the two particles going to infinite radius and mass (flat wall). +Specifically, delta = radius - r = overlap of particle with wall, m\_eff += mass of particle, and the effective radius of contact = RiRj/Ri+Rj is +set to the radius of the particle. The parameters *Kn*\ , *Kt*\ , *gamma\_n*, *gamma\_t*, *xmu* and *dampflag* have the same meaning and units as those specified with the diff --git a/doc/src/fix_wall_gran_region.rst b/doc/src/fix_wall_gran_region.rst index c2ecff8119..1fa9269186 100644 --- a/doc/src/fix_wall_gran_region.rst +++ b/doc/src/fix_wall_gran_region.rst @@ -154,15 +154,16 @@ corresponding manner. The nature of the wall/particle interactions are determined by the *fstyle* setting. It can be any of the styles defined by the -:doc:`pair_style gran/\* ` or the more general `pair\_style granular `_ commands. Currently the options are -*hooke*\ , *hooke/history*\ , or *hertz/history* for the former, and -*granular* with all the possible options of the associated +:doc:`pair_style gran/\* ` or the more general +:doc:`pair_style granular ` commands. Currently the +options are *hooke*\ , *hooke/history*\ , or *hertz/history* for the +former, and *granular* with all the possible options of the associated *pair\_coeff* command for the latter. The equation for the force between the wall and particles touching it is the same as the corresponding equation on the :doc:`pair_style gran/\* ` and :doc:`pair_style granular ` doc pages, but the effective -radius is calculated using the radius of the particle and the radius -of curvature of the wall at the contact point. +radius is calculated using the radius of the particle and the radius of +curvature of the wall at the contact point. Specifically, delta = radius - r = overlap of particle with wall, m\_eff = mass of particle, and RiRj/Ri+Rj is the effective radius, with diff --git a/doc/src/rerun.rst b/doc/src/rerun.rst index 6563ef7dd0..3e0da24e75 100644 --- a/doc/src/rerun.rst +++ b/doc/src/rerun.rst @@ -115,13 +115,13 @@ However if you specify a series of dump files in an incorrect order (with respect to the timesteps they contain), you may skip large numbers of snapshots -Note that the dump files specified as part of the *dump* keyword can -be parallel files, i.e. written as multiple files either per processor +Note that the dump files specified as part of the *dump* keyword can be +parallel files, i.e. written as multiple files either per processor and/or per snapshot. If that is the case they will also be read in parallel which can make the rerun command operate dramatically faster -for large systems. See the doc page for the `read\_dump `_ and -:doc:`dump ` commands which describe how to read and write -parallel dump files. +for large systems. See the doc page for the :doc:`read_dump +` and :doc:`dump ` commands which describe how to read +and write parallel dump files. The *first*\ , *last*\ , *every*\ , *skip* keywords determine which snapshots are read from the dump file(s). Snapshots are skipped until