Update Python_module.rst
This commit is contained in:
@ -3,12 +3,12 @@ The ``lammps`` Python module
|
|||||||
|
|
||||||
.. py:module:: lammps
|
.. py:module:: lammps
|
||||||
|
|
||||||
The LAMMPS Python interface is implemented as a module called
|
The LAMMPS Python interface is implemented as a module called :py:mod:`lammps`
|
||||||
:py:mod:`lammps` in the ``lammps.py`` file in the ``python`` folder of
|
which is defined in the ``lammps`` package in the ``python`` folder of the
|
||||||
the LAMMPS source code distribution. After compilation of LAMMPS, the
|
LAMMPS source code distribution. After compilation of LAMMPS, the module can
|
||||||
module can be installed into a Python system folder or a user folder
|
be installed into a Python system folder or a user folder with ``make
|
||||||
with ``make install-python``. Components of the module can then loaded
|
install-python``. Components of the module can then loaded into a Python
|
||||||
into a Python session with the ``import`` command.
|
session with the ``import`` command.
|
||||||
|
|
||||||
There are multiple Python interface classes in the :py:mod:`lammps` module:
|
There are multiple Python interface classes in the :py:mod:`lammps` module:
|
||||||
|
|
||||||
@ -44,7 +44,7 @@ functions. Below is a detailed documentation of the API.
|
|||||||
.. autoclass:: lammps.lammps
|
.. autoclass:: lammps.lammps
|
||||||
:members:
|
:members:
|
||||||
|
|
||||||
.. autoclass:: lammps.numpy_wrapper
|
.. autoclass:: lammps.numpy::numpy_wrapper
|
||||||
:members:
|
:members:
|
||||||
|
|
||||||
----------
|
----------
|
||||||
@ -117,8 +117,8 @@ Style Constants
|
|||||||
to request from computes or fixes. See :cpp:enum:`_LMP_STYLE_CONST`
|
to request from computes or fixes. See :cpp:enum:`_LMP_STYLE_CONST`
|
||||||
for the equivalent constants in the C library interface. Used in
|
for the equivalent constants in the C library interface. Used in
|
||||||
:py:func:`lammps.extract_compute`, :py:func:`lammps.extract_fix`, and their NumPy variants
|
:py:func:`lammps.extract_compute`, :py:func:`lammps.extract_fix`, and their NumPy variants
|
||||||
:py:func:`lammps.numpy.extract_compute() <numpy_wrapper.extract_compute>` and
|
:py:func:`lammps.numpy.extract_compute() <lammps.numpy.numpy_wrapper.extract_compute>` and
|
||||||
:py:func:`lammps.numpy.extract_fix() <numpy_wrapper.extract_fix>`.
|
:py:func:`lammps.numpy.extract_fix() <lammps.numpy.numpy_wrapper.extract_fix>`.
|
||||||
|
|
||||||
.. _py_type_constants:
|
.. _py_type_constants:
|
||||||
|
|
||||||
@ -132,8 +132,8 @@ Type Constants
|
|||||||
to request from computes or fixes. See :cpp:enum:`_LMP_TYPE_CONST`
|
to request from computes or fixes. See :cpp:enum:`_LMP_TYPE_CONST`
|
||||||
for the equivalent constants in the C library interface. Used in
|
for the equivalent constants in the C library interface. Used in
|
||||||
:py:func:`lammps.extract_compute`, :py:func:`lammps.extract_fix`, and their NumPy variants
|
:py:func:`lammps.extract_compute`, :py:func:`lammps.extract_fix`, and their NumPy variants
|
||||||
:py:func:`lammps.numpy.extract_compute() <numpy_wrapper.extract_compute>` and
|
:py:func:`lammps.numpy.extract_compute() <lammps.numpy.numpy_wrapper.extract_compute>` and
|
||||||
:py:func:`lammps.numpy.extract_fix() <numpy_wrapper.extract_fix>`.
|
:py:func:`lammps.numpy.extract_fix() <lammps.numpy.numpy_wrapper.extract_fix>`.
|
||||||
|
|
||||||
.. _py_vartype_constants:
|
.. _py_vartype_constants:
|
||||||
|
|
||||||
@ -153,6 +153,6 @@ Classes representing internal objects
|
|||||||
:members:
|
:members:
|
||||||
:no-undoc-members:
|
:no-undoc-members:
|
||||||
|
|
||||||
.. autoclass:: lammps.NumPyNeighList
|
.. autoclass:: lammps.numpy::NumPyNeighList
|
||||||
:members:
|
:members:
|
||||||
:no-undoc-members:
|
:no-undoc-members:
|
||||||
|
|||||||
Reference in New Issue
Block a user