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small clarification

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Axel Kohlmeyer
2024-09-05 23:05:25 -04:00
parent d67e0e6a41
commit 360fdabc19
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doc/src/Howto_pylammps.rst
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@ -39,16 +39,18 @@ lammps.lammps
* interface modeled after the LAMMPS :ref:`C language library interface API <lammps_c_api>` * interface modeled after the LAMMPS :ref:`C language library interface API <lammps_c_api>`
* requires knowledge of how LAMMPS internally works (C pointers, etc) * requires knowledge of how LAMMPS internally works (C pointers, etc)
* full support for running Python with MPI using `mpi4py <https://mpi4py.readthedocs.io>`_ * full support for running Python with MPI using `mpi4py <https://mpi4py.readthedocs.io>`_
* no overhead from creating a more Python-like interface
lammps.PyLammps lammps.PyLammps
""""""""""""""" """""""""""""""
* higher-level abstraction built on *top* of original :py:class:`ctypes based interface <lammps.lammps>` * higher-level abstraction built on *top* of the original :py:class:`ctypes based interface <lammps.lammps>`
* manipulation of Python objects * manipulation of Python objects
* communication with LAMMPS is hidden from API user * communication with LAMMPS is hidden from API user
* shorter, more concise Python * shorter, more concise Python
* better IPython integration, designed for quick prototyping * better IPython integration, designed for quick prototyping
* designed for serial execution * designed for serial execution
* additional overhead from capturing and parsing the LAMMPS screen output
Quick Start Quick Start
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