From f5c457334a8f3ef44078376f4b91140f052b7580 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 16 Oct 2020 02:43:20 -0400 Subject: [PATCH] make headers more compact --- doc/src/Python_call.rst | 4 ++-- doc/src/Python_error.rst | 2 +- doc/src/Python_examples.rst | 10 +++++----- doc/src/Python_ext.rst | 11 ++++++----- 4 files changed, 14 insertions(+), 13 deletions(-) diff --git a/doc/src/Python_call.rst b/doc/src/Python_call.rst index 3b8b33b341..3a09678539 100644 --- a/doc/src/Python_call.rst +++ b/doc/src/Python_call.rst @@ -1,5 +1,5 @@ -Calling Python from a LAMMPS input script -***************************************** +Calling Python from LAMMPS +************************** LAMMPS has several commands which can be used to invoke Python code directly from an input script: diff --git a/doc/src/Python_error.rst b/doc/src/Python_error.rst index f57ec06576..744a8dd3de 100644 --- a/doc/src/Python_error.rst +++ b/doc/src/Python_error.rst @@ -1,4 +1,4 @@ -LAMMPS error handling in Python +Handling LAMMPS errors ******************************* Compiling the shared library with :ref:`C++ exception support ` provides a better error diff --git a/doc/src/Python_examples.rst b/doc/src/Python_examples.rst index c63691a004..25cb4f8a77 100644 --- a/doc/src/Python_examples.rst +++ b/doc/src/Python_examples.rst @@ -1,10 +1,10 @@ -Example Python scripts that use LAMMPS -====================================== +Example Python scripts +====================== -The python/examples directory has Python scripts which show how Python +The ``python/examples`` directory has Python scripts which show how Python can run LAMMPS, grab data, change it, and put it back into LAMMPS. -These are the Python scripts included as demos in the python/examples +These are the Python scripts included as demos in the ``python/examples`` directory of the LAMMPS distribution, to illustrate the kinds of things that are possible when Python wraps LAMMPS. If you create your own scripts, send them to us and we can include them in the LAMMPS @@ -32,7 +32,7 @@ distribution. ---------- -For the viz_tool.py and vizplotgui_tool.py commands, replace "tool" +For the ``viz_tool.py`` and ``vizplotgui_tool.py`` commands, replace "tool" with "gl" or "atomeye" or "pymol" or "vmd", depending on what visualization package you have installed. diff --git a/doc/src/Python_ext.rst b/doc/src/Python_ext.rst index 02e57f559e..6b6d1ab715 100644 --- a/doc/src/Python_ext.rst +++ b/doc/src/Python_ext.rst @@ -1,10 +1,10 @@ -Extending the library and Python interface +Extending the Python interface ****************************************** -As noted previously, the Python class methods correspond one-to-one with -the functions in the LAMMPS library interface in ``src/library.cpp`` and -``library.h``. This means you can extend the Python wrapper by -following these steps: +As noted previously, most of the :py:class:`lammps ` +Python class methods correspond one-to-one with the functions in the +LAMMPS library interface in ``src/library.cpp`` and ``library.h``. +This means you can extend the Python wrapper by following these steps: * Add a new interface function to ``src/library.cpp`` and ``src/library.h``. @@ -17,3 +17,4 @@ following these steps: * You should now be able to invoke the new interface function from a Python script. +