47 lines
1.3 KiB
ReStructuredText
47 lines
1.3 KiB
ReStructuredText
Modifying & extending LAMMPS
|
|
****************************
|
|
|
|
LAMMPS has a modular design, so that it is easy to modify or extend with
|
|
new functionality. In fact, about 95% of its source code is optional.
|
|
The following pages give basic instructions on adding new features to
|
|
LAMMPS. More in-depth explanations and documentation of individual
|
|
functions and classes are given in :doc:`Developer`.
|
|
|
|
If you add a new feature to LAMMPS and think it will be of general
|
|
interest to other users, we encourage you to submit it for inclusion in
|
|
LAMMPS. This process is explained in the following three pages:
|
|
|
|
* :doc:`how to prepare and submit your code <Modify_contribute>`
|
|
* :doc:`requirements for submissions <Modify_requirements>`
|
|
* :doc:`style guidelines <Modify_style>`
|
|
|
|
A summary description of various types of styles in LAMMPS follows.
|
|
A discussion of implementing specific styles from scratch is given
|
|
in :doc:`writing new styles <Developer_write>`.
|
|
|
|
.. toctree::
|
|
:maxdepth: 1
|
|
|
|
Modify_overview
|
|
Modify_contribute
|
|
Modify_requirements
|
|
Modify_style
|
|
|
|
.. toctree::
|
|
:maxdepth: 1
|
|
|
|
Modify_atom
|
|
Modify_pair
|
|
Modify_bond
|
|
Modify_compute
|
|
Modify_fix
|
|
Modify_command
|
|
Modify_dump
|
|
Modify_kspace
|
|
Modify_min
|
|
Modify_region
|
|
Modify_body
|
|
Modify_gran_sub_mod
|
|
Modify_thermo
|
|
Modify_variable
|