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Richard Berger
2020-10-02 18:01:52 -04:00
parent d91d8de76d
commit fb1bd3e962
2 changed files with 9 additions and 9 deletions
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doc/src/Python_config.rst
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Retrieving LAMMPS configuration information
*******************************************
* :py:attr:`has_mpi_support <lammps.has_mpi_support>`
* :py:attr:`has_exceptions <lammps.has_exceptions>`
* :py:attr:`has_gzip_support <lammps.has_gzip_support>`
* :py:attr:`has_png_support <lammps.has_png_support>`
* :py:attr:`has_jpeg_support <lammps.has_jpeg_support>`
* :py:attr:`has_ffmpeg_support <lammps.has_ffmpeg_support>`
* :py:attr:`installed_packages <lammps.installed_pages>`
* :py:attr:`has_mpi_support <lammps.lammps.has_mpi_support>`
* :py:attr:`has_exceptions <lammps.lammps.has_exceptions>`
* :py:attr:`has_gzip_support <lammps.lammps.has_gzip_support>`
* :py:attr:`has_png_support <lammps.lammps.has_png_support>`
* :py:attr:`has_jpeg_support <lammps.lammps.has_jpeg_support>`
* :py:attr:`has_ffmpeg_support <lammps.lammps.has_ffmpeg_support>`
* :py:attr:`installed_packages <lammps.lammps.installed_pages>`
* :py:meth:`lammps.has_style() <lammps.lammps.has_style()>`
* :py:meth:`lammps.available_styles() <lammps.lammps.available_styles()`

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doc/src/Python_usage.rst
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Methods:
* :py:meth:`get_version() <lammps.lammps.get_version()>`: return the numerical version id, e.g. LAMMPS 2 Sep 2015 -> 20150902
* :py:meth:`version() <lammps.lammps.version()>`: return the numerical version id, e.g. LAMMPS 2 Sep 2015 -> 20150902
* :py:meth:`get_thermo() <lammps.lammps.get_thermo()>`: return current value of a thermo keyword
* :py:meth:`get_natoms() <lammps.lammps.get_natoms()>`: total # of atoms as int
* :py:meth:`reset_box() <lammps.lammps.reset_box()>`: reset the simulation box size
@ -330,7 +330,7 @@ against invalid accesses.
Numpy Methods:
* :py:meth:`numpy.extract_atom() <lammps.lammps.numpy.extract_atom()>`: extract a per-atom quantity as numpy array
* :py:meth:`numpy.extract_atom() <lammps.numpy_wrapper.extract_atom()>`: extract a per-atom quantity as numpy array
.. tab:: PyLammps/IPyLammps API