Fixing remaining errors/warnings in doc build

This commit is contained in:
Joel Thomas Clemmer
2022-04-12 15:59:38 -06:00
parent ca37c01476
commit f64d405ad8
14 changed files with 24 additions and 33 deletions

View File

@ -159,7 +159,6 @@ OPT.
* :doc:`orient/fcc <fix_orient>` * :doc:`orient/fcc <fix_orient>`
* :doc:`orient/eco <fix_orient_eco>` * :doc:`orient/eco <fix_orient_eco>`
* :doc:`pafi <fix_pafi>` * :doc:`pafi <fix_pafi>`
* :doc:`pair/tracker <fix_pair_tracker>`
* :doc:`phonon <fix_phonon>` * :doc:`phonon <fix_phonon>`
* :doc:`pimd <fix_pimd>` * :doc:`pimd <fix_pimd>`
* :doc:`planeforce <fix_planeforce>` * :doc:`planeforce <fix_planeforce>`
@ -223,7 +222,6 @@ OPT.
* :doc:`spring/rg <fix_spring_rg>` * :doc:`spring/rg <fix_spring_rg>`
* :doc:`spring/self <fix_spring_self>` * :doc:`spring/self <fix_spring_self>`
* :doc:`srd <fix_srd>` * :doc:`srd <fix_srd>`
* :doc:`store/local <fix_store_local>`
* :doc:`store/force <fix_store_force>` * :doc:`store/force <fix_store_force>`
* :doc:`store/state <fix_store_state>` * :doc:`store/state <fix_store_state>`
* :doc:`tdpd/source <fix_dpd_source>` * :doc:`tdpd/source <fix_dpd_source>`

View File

@ -23,6 +23,7 @@ General howto
Howto_library Howto_library
Howto_couple Howto_couple
Howto_mdi Howto_mdi
Howto_bpm
Howto_broken_bonds Howto_broken_bonds
Settings howto Settings howto

View File

@ -1,5 +1,5 @@
Bonded particle models Bonded particle models
=============== ======================
The BPM package implements bonded particle models which can be used to The BPM package implements bonded particle models which can be used to
simulate mesoscale solids. Solids are constructed as a collection of simulate mesoscale solids. Solids are constructed as a collection of
@ -21,7 +21,7 @@ pouring of extended, elastic bodies.
---------- ----------
Bonds can be created using a :doc:`read data <read_data>` or Bonds can be created using a :doc:`read data <read_data>` or
:doc:`create bond <create_bond>` command. Alternatively, a :doc:`create bonds <create_bonds>` command. Alternatively, a
:doc:`molecule <molecule>` template with bonds can be used with :doc:`molecule <molecule>` template with bonds can be used with
:doc:`fix deposit <fix_deposit>` or :doc:`fix pour <fix_pour>` to :doc:`fix deposit <fix_deposit>` or :doc:`fix pour <fix_pour>` to
create solid grains. create solid grains.
@ -98,7 +98,7 @@ to :doc:`fix nve/asphere <fix_nve_asphere>`.
To monitor the fracture of bonds in the system, all BPM bond styles To monitor the fracture of bonds in the system, all BPM bond styles
have the ability to record instances of bond breakage to output using have the ability to record instances of bond breakage to output using
the :doc:`dump local <dump_local>` command. Additionally, one can use the :doc:`dump local <dump>` command. Additionally, one can use
:doc:`compute nbond/atom <compute_nbond_atom>` to tally the current :doc:`compute nbond/atom <compute_nbond_atom>` to tally the current
number of bonds per atom. number of bonds per atom.
@ -118,7 +118,7 @@ following are currently compatible with BPM bond styles:
* :doc:`fix bond/break <fix_bond_break>` * :doc:`fix bond/break <fix_bond_break>`
* :doc:`fix bond/swap <fix_bond_swap>` * :doc:`fix bond/swap <fix_bond_swap>`
Note :doc:`bond_create <bond_create>` requires certain special_bonds settings. Note :doc:`create_bonds <create_bonds>` requires certain special_bonds settings.
To subtract pair interactions, one will need to switch between different To subtract pair interactions, one will need to switch between different
special_bonds settings in the input script. An example is found in special_bonds settings in the input script. An example is found in
examples/bpm/impact. examples/bpm/impact.

View File

@ -1,10 +1,10 @@
Broken Bonds Broken Bonds
=============== ============
Typically, bond interactions persist for the duration of a simulation Typically, bond interactions persist for the duration of a simulation
in LAMMPS. However, there are some exceptions that allow for bonds to in LAMMPS. However, there are some exceptions that allow for bonds to
break includung the :doc:`quartic bond style <bond_quartic>` and the break includung the :doc:`quartic bond style <bond_quartic>` and the
bond styles in the :doc:`BPM package <Howto_BPM>` which contains the bond styles in the :doc:`BPM package <Howto_bpm>` which contains the
:doc:`bpm/spring <bond_bpm_spring>` and :doc:`bpm/spring <bond_bpm_spring>` and
:doc:`bpm/rotational <bond_bpm_rotational>` bond styles. In these cases, :doc:`bpm/rotational <bond_bpm_rotational>` bond styles. In these cases,
a bond can be broken if it is stretched beyond a user-defined threshold. a bond can be broken if it is stretched beyond a user-defined threshold.
@ -26,7 +26,7 @@ two atoms is turned on, since they are no longer bonded.
In the BPM package, one can either turn off all pair interactions between In the BPM package, one can either turn off all pair interactions between
bonded particles or leave them on, overlaying pair forces on top of bond bonded particles or leave them on, overlaying pair forces on top of bond
forces. To remove pair forces, the special bond list is dynamically forces. To remove pair forces, the special bond list is dynamically
updated. More details can be found on the :doc:`Howto BPM <Howto_BPM>` updated. More details can be found on the :doc:`Howto BPM <Howto_bpm>`
page. page.
Bonds can also be broken by fixes which change bond topology, including Bonds can also be broken by fixes which change bond topology, including
@ -44,5 +44,5 @@ status of broken bonds or permanently delete them, e.g.:
delete_bonds all stats delete_bonds all stats
delete_bonds all bond 0 remove delete_bonds all bond 0 remove
The compute :doc:`nbonds/atom <compute_nbonds_atom>` can also be used The compute :doc:`nbond/atom <compute_nbond_atom>` can also be used
to tally the current number of bonds per atom, excluding broken bonds. to tally the current number of bonds per atom, excluding broken bonds.

View File

@ -304,7 +304,7 @@ models for mesoscale simulations of solids and fracture. See the
* :doc:`atom_style bpm/sphere <atom_style>` * :doc:`atom_style bpm/sphere <atom_style>`
* :doc:`bond_style bpm/rotational <bond_bpm_rotational>` * :doc:`bond_style bpm/rotational <bond_bpm_rotational>`
* :doc:`bond_style bpm/spring <bond_bpm_spring>` * :doc:`bond_style bpm/spring <bond_bpm_spring>`
* :doc:`compute nbonds/atom <compute_nbonds_atom>` * :doc:`compute nbond/atom <compute_nbond_atom>`
* :doc:`fix nve/bpm/sphere <fix_nve_bpm_sphere>` * :doc:`fix nve/bpm/sphere <fix_nve_bpm_sphere>`
* :doc:`pair_style bpm/spring <pair_bpm_spring>` * :doc:`pair_style bpm/spring <pair_bpm_spring>`
* examples/bpm * examples/bpm

View File

@ -1,7 +1,7 @@
.. index:: bond_style bpm/rotational .. index:: bond_style bpm/rotational
bond_style bpm/rotational command bond_style bpm/rotational command
========================== =================================
Syntax Syntax
"""""" """"""
@ -71,7 +71,7 @@ particles which are proportional to angular bending and twisting
displacements with stiffnesses of :math`k_b` and :math:`k_t', displacements with stiffnesses of :math`k_b` and :math:`k_t',
respectively. Details on the calculations of shear displacements and respectively. Details on the calculations of shear displacements and
angular displacements can be found in :ref:`(Wang) <Wang2009>` and angular displacements can be found in :ref:`(Wang) <Wang2009>` and
:ref:`(Wang and Mora) <WangMora2009b>`. :ref:`(Wang and Mora) <Wang2009b>`.
Bonds will break under sufficient stress. A breaking criteria is calculated Bonds will break under sufficient stress. A breaking criteria is calculated
@ -154,7 +154,7 @@ timesteps. At the end of each interval, all of the saved accumulated
data is deleted to make room for new data. Individual datum may data is deleted to make room for new data. Individual datum may
therefore persist anywhere between *1* to *N* timesteps depending on therefore persist anywhere between *1* to *N* timesteps depending on
when they are saved. This data can be accessed using the *fix_ID* and a when they are saved. This data can be accessed using the *fix_ID* and a
:doc:`dump local <dump_local>` command. To ensure all data is output, :doc:`dump local <dump>` command. To ensure all data is output,
the dump frequency should correspond to the same interval of *N* the dump frequency should correspond to the same interval of *N*
timesteps. A dump frequency of an integer multiple of *N* can be used timesteps. A dump frequency of an integer multiple of *N* can be used
to regularly output a sample of the accumulated data. to regularly output a sample of the accumulated data.

View File

@ -1,7 +1,7 @@
.. index:: bond_style bpm/spring .. index:: bond_style bpm/spring
bond_style bpm/spring command bond_style bpm/spring command
========================== =============================
Syntax Syntax
"""""" """"""
@ -118,7 +118,7 @@ timesteps. At the end of each interval, all of the saved accumulated
data is deleted to make room for new data. Individual datum may data is deleted to make room for new data. Individual datum may
therefore persist anywhere between *1* to *N* timesteps depending on therefore persist anywhere between *1* to *N* timesteps depending on
when they are saved. This data can be accessed using the *fix_ID* and a when they are saved. This data can be accessed using the *fix_ID* and a
:doc:`dump local <dump_local>` command. To ensure all data is output, :doc:`dump local <dump>` command. To ensure all data is output,
the dump frequency should correspond to the same interval of *N* the dump frequency should correspond to the same interval of *N*
timesteps. A dump frequency of an integer multiple of *N* can be used timesteps. A dump frequency of an integer multiple of *N* can be used
to regularly output a sample of the accumulated data. to regularly output a sample of the accumulated data.

View File

@ -1,7 +1,7 @@
.. index:: compute nbond/atom .. index:: compute nbond/atom
compute nbond/atom command compute nbond/atom command
======================= ==========================
Syntax Syntax
"""""" """"""
@ -50,6 +50,3 @@ Default
""""""" """""""
none none
----------

View File

@ -475,7 +475,7 @@ The *fileper* keyword is documented below with the *nfile* keyword.
The *header* keyword toggles whether the dump file will include a The *header* keyword toggles whether the dump file will include a
header. Excluding a header will reduce the size of the dump file for header. Excluding a header will reduce the size of the dump file for
data produced by :doc:`pair tracker <pair_tracker>` or data produced by :doc:`pair tracker <pair_tracker>` or
:doc:`bpm bond styles <HowTo_bpm>` which may not require the :doc:`bpm bond styles <Howto_bpm>` which may not require the
information typically written to the header. information typically written to the header.
---------- ----------

View File

@ -365,7 +365,6 @@ accelerated styles exist.
* :doc:`spring/rg <fix_spring_rg>` - spring on radius of gyration of group of atoms * :doc:`spring/rg <fix_spring_rg>` - spring on radius of gyration of group of atoms
* :doc:`spring/self <fix_spring_self>` - spring from each atom to its origin * :doc:`spring/self <fix_spring_self>` - spring from each atom to its origin
* :doc:`srd <fix_srd>` - stochastic rotation dynamics (SRD) * :doc:`srd <fix_srd>` - stochastic rotation dynamics (SRD)
* :doc:`store/local <fix_store_local>` - store local data for output
* :doc:`store/force <fix_store_force>` - store force on each atom * :doc:`store/force <fix_store_force>` - store force on each atom
* :doc:`store/state <fix_store_state>` - store attributes for each atom * :doc:`store/state <fix_store_state>` - store attributes for each atom
* :doc:`tdpd/source <fix_dpd_source>` - * :doc:`tdpd/source <fix_dpd_source>` -
@ -384,7 +383,6 @@ accelerated styles exist.
* :doc:`ttm/grid <fix_ttm>` - two-temperature model for electronic/atomic coupling (distributed grid) * :doc:`ttm/grid <fix_ttm>` - two-temperature model for electronic/atomic coupling (distributed grid)
* :doc:`ttm/mod <fix_ttm>` - enhanced two-temperature model with additional options * :doc:`ttm/mod <fix_ttm>` - enhanced two-temperature model with additional options
* :doc:`tune/kspace <fix_tune_kspace>` - auto-tune KSpace parameters * :doc:`tune/kspace <fix_tune_kspace>` - auto-tune KSpace parameters
* :doc:`update/special/bonds <fix_update_special_bonds>` - update special bond lists for BPM bond styles that allow for bond breakage
* :doc:`vector <fix_vector>` - accumulate a global vector every N timesteps * :doc:`vector <fix_vector>` - accumulate a global vector every N timesteps
* :doc:`viscosity <fix_viscosity>` - Muller-Plathe momentum exchange for viscosity calculation * :doc:`viscosity <fix_viscosity>` - Muller-Plathe momentum exchange for viscosity calculation
* :doc:`viscous <fix_viscous>` - viscous damping for granular simulations * :doc:`viscous <fix_viscous>` - viscous damping for granular simulations

View File

@ -1,7 +1,7 @@
.. index:: fix nve/bpm/sphere .. index:: fix nve/bpm/sphere
fix nve/bpm/sphere command fix nve/bpm/sphere command
====================== ==========================
Syntax Syntax
"""""" """"""
@ -38,7 +38,7 @@ ensemble.
This fix differs from the :doc:`fix nve <fix_nve>` command, which This fix differs from the :doc:`fix nve <fix_nve>` command, which
assumes point particles and only updates their position and velocity. assumes point particles and only updates their position and velocity.
It also differs from the :doc:`fix nve/sphere <fix_nve/sphere>` It also differs from the :doc:`fix nve/sphere <fix_nve_sphere>`
command which assumes finite-size spheroid particles which do not command which assumes finite-size spheroid particles which do not
store a quaternion. It thus does not update a particle's orientation store a quaternion. It thus does not update a particle's orientation
or quaternion. or quaternion.

View File

@ -1,7 +1,7 @@
.. index:: pair_style bpm/spring .. index:: pair_style bpm/spring
pair_style bpm/spring command pair_style bpm/spring command
======================= =============================
Syntax Syntax
"""""" """"""

View File

@ -86,7 +86,7 @@ timesteps. At the end of each interval, all of the saved accumulated
data is deleted to make room for new data. Individual datum may data is deleted to make room for new data. Individual datum may
therefore persist anywhere between *1* to *N* timesteps depending on therefore persist anywhere between *1* to *N* timesteps depending on
when they are saved. This data can be accessed using the *fix_ID* and a when they are saved. This data can be accessed using the *fix_ID* and a
:doc:`dump local <dump_local>` command. To ensure all data is output, :doc:`dump local <dump>` command. To ensure all data is output,
the dump frequency should correspond to the same interval of *N* the dump frequency should correspond to the same interval of *N*
timesteps. A dump frequency of an integer multiple of *N* can be used timesteps. A dump frequency of an integer multiple of *N* can be used
to regularly output a sample of the accumulated data. to regularly output a sample of the accumulated data.
@ -178,9 +178,6 @@ This fix is part of the MISC package. It is only enabled if LAMMPS
was built with that package. See the :doc:`Build package was built with that package. See the :doc:`Build package
<Build_package>` page for more info. <Build_package>` page for more info.
A corresponding :doc:`fix store_local <fix_store_local>` must be
defined to use this pair style.
This pair style is currently incompatible with granular pair styles This pair style is currently incompatible with granular pair styles
that extend beyond the contact (e.g. JKR and DMT). that extend beyond the contact (e.g. JKR and DMT).

View File

@ -2618,7 +2618,7 @@ length of the data area, and a short description.
- int - int
- 1 - 1
- 1 if the particle is a body particle, 0 if not - 1 if the particle is a body particle, 0 if not
* - quat * - quat
- double - double
- 4 - 4
- four quaternion components of the particles - four quaternion components of the particles