Update Python_module.rst

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Richard Berger
2020-12-15 19:16:29 -05:00
parent ac203b3683
commit 3103fe85f6

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@ -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: