Edits to modify doc files

This commit is contained in:
jtclemm
2024-08-13 20:17:26 -06:00
parent 3321477c7f
commit 3c0397f8b9
6 changed files with 22 additions and 31 deletions

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@ -96,7 +96,7 @@ methods that a new variable name or flag needs to be added to.
In ``Atom::peratom_create()`` when using the ``Atom::add_peratom()`` In ``Atom::peratom_create()`` when using the ``Atom::add_peratom()``
method, a cols argument of 0 is for per-atom vectors, a length > method, a cols argument of 0 is for per-atom vectors, a length >
1 is for per-atom arrays. Note the use of the extra per-thread flag and 1 is for per-atom arrays. Note the use of the extra per-thread flag and
the add_peratom_vary() method when last dimension of the array is the add_peratom_vary() method when the last dimension of the array is
variable-length. variable-length.
Adding the variable name to Atom::extract() enables the per-atom data Adding the variable name to Atom::extract() enables the per-atom data

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@ -1,7 +1,7 @@
Submitting new features for inclusion in LAMMPS Submitting new features for inclusion in LAMMPS
=============================================== ===============================================
We encourage LAMMPS users to submit new features they wrote for LAMMPS We encourage LAMMPS users to submit new features they write for LAMMPS
to be included in the LAMMPS distribution and thus become easily to be included in the LAMMPS distribution and thus become easily
accessible to all LAMMPS users. The LAMMPS source code is managed accessible to all LAMMPS users. The LAMMPS source code is managed
with git and public development is hosted on `GitHub with git and public development is hosted on `GitHub

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@ -65,37 +65,28 @@ need to be defined
.. list-table:: .. list-table::
* - ``GranSubMod->mix_coeff()`` * - ``mix_coeff()``
- Optional method to define how coefficients are mixed for different atom types. By default, coefficients are mixed using a geometric mean. - Optional method to define how coefficients are mixed for different atom types. By default, coefficients are mixed using a geometric mean.
* - ``GranSubMod->coeffs_to_local()`` * - ``coeffs_to_local()``
- Parses coefficients to define local variables. Run once at model construction. - Parses coefficients to define local variables. Run once at model construction.
* - ``GranSubMod->init()`` * - ``init()``
- Optional method to define local variables after other GranSubMod types were created. For instance, this method may be used by a tangential model that derives parameters from the normal model. - Optional method to define local variables after other GranSubMod types were created. For instance, this method may be used by a tangential model that derives parameters from the normal model.
There are also several type-specific methods The Normal, Damping, Tangential, Twisting, and Rolling sub-models also have a
``calculate_forces()`` method which calculate the respective forces/torques.
Correspondingly, the Heat sub-model has a ``calculate_heat()`` method. Lastly,
the Normal sub-model has a few extra optional methods:
.. list-table:: .. list-table::
* - ``GranSubModNormal->touch()`` * - ``touch()``
- Optional method to test when particles are in contact. By default, this is when particles overlap. - Tests whether particles are in contact. By default, when particles overlap.
* - ``GranSubModNormal->pulloff_distance()`` * - ``pulloff_distance()``
- Optional method to return the distance at which particles stop interacting. By default, this is when particles no longer overlap. - Returns the distance at which particles stop interacting. By default, when particles no longer overlap.
* - ``GranSubModNormal->calculate_radius()`` * - ``calculate_radius()``
- Optional method to return the radius of the contact. By default, this returns the radius of the geometric cross section. - Returns the radius of the contact. By default, the radius of the geometric cross section.
* - ``GranSubModNormal->set_fncrit()`` * - ``set_fncrit()``
- Optional method that defines the critical force to break the contact used by some tangential, rolling, and twisting sub-models. By default, this is the current total normal force including damping. - Defines the critical force to break the contact used by some tangential, rolling, and twisting sub-models. By default, the current total normal force including damping.
* - ``GranSubModNormal->calculate_forces()``
- Required method that returns the normal contact force
* - ``GranSubModDamping->calculate_forces()``
- Required method that returns the normal damping force
* - ``GranSubModTangential->calculate_forces()``
- Required method that calculates tangential forces/torques
* - ``GranSubModTwisting->calculate_forces()``
- Required method that calculates twisting friction forces/torques
* - ``GranSubModRolling->calculate_forces()``
- Required method that calculates rolling friction forces/torques
* - ``GranSubModHeat->calculate_heat()``
- Required method that returns the rate of heat flow
As an example, say one wanted to create a new normal force option that consisted As an example, say one wanted to create a new normal force option that consisted
of a Hookean force with a piecewise stiffness. This could be done by adding a new of a Hookean force with a piecewise stiffness. This could be done by adding a new

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@ -12,8 +12,8 @@ programming style choices in LAMMPS is :doc:`given elsewhere
<Developer_code_design>`. <Developer_code_design>`.
Most of the new features described on the :doc:`Modify <Modify>` doc Most of the new features described on the :doc:`Modify <Modify>` doc
page require you to write a new C++ derived class (except for page require you to write a new C++ derived class (excluding exceptions
exceptions described below, where you can make small edits to existing described below, this can often be done by making small edits to existing
files). Creating a new class requires 2 files, a source code file files). Creating a new class requires 2 files, a source code file
(\*.cpp) and a header file (\*.h). The derived class must provide (\*.cpp) and a header file (\*.h). The derived class must provide
certain methods to work as a new option. Depending on how different certain methods to work as a new option. Depending on how different
@ -46,7 +46,7 @@ then your ``pair_foo.h`` file should be structured as follows:
// clang-format off // clang-format off
PairStyle(foo,PairFoo); PairStyle(foo,PairFoo);
#else #else
// clanf-format on // clang-format on
... ...
(class definition for PairFoo) (class definition for PairFoo)
... ...

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@ -184,7 +184,7 @@ package so that it is optional.
Included Fortran code has to be compatible with the Fortran 2003 Included Fortran code has to be compatible with the Fortran 2003
standard. Since not all platforms supported by LAMMPS provide good standard. Since not all platforms supported by LAMMPS provide good
support for compiling Fortran files, it should be considered to rewrite support for compiling Fortran files, it should be considered to rewrite
these parts as C++ code, if possible and thus allow for a wider adoption these parts as C++ code, if possible, and thus allow for a wider adoption
of the contribution. As of January 2023, all previously included of the contribution. As of January 2023, all previously included
Fortran code for the LAMMPS executable has been replaced by equivalent Fortran code for the LAMMPS executable has been replaced by equivalent
C++ code. C++ code.

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@ -14,7 +14,7 @@ style, but can be adapted using :doc:`thermo_modify line <thermo_modify>`.
The thermo styles (one, multi, etc) are defined by lists of keywords The thermo styles (one, multi, etc) are defined by lists of keywords
with associated formats for integer and floating point numbers and with associated formats for integer and floating point numbers and
identified but an enumerator constant. Adding a new style thus mostly identified by an enumerator constant. Adding a new style thus mostly
requires defining a new list of keywords and the associated formats and requires defining a new list of keywords and the associated formats and
then inserting the required output processing where the enumerators are then inserting the required output processing where the enumerators are
identified. Search for the word "CUSTOMIZATION" with references to identified. Search for the word "CUSTOMIZATION" with references to