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Update Howto_pylammps.rst

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Evangelos Voyiatzis
2019-11-26 21:52:31 +01:00
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parent 3bd3c7a196
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doc/src/Howto_pylammps.rst
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@ -362,18 +362,17 @@ accessible through its thermo name:
.. code-block:: Python .. code-block:: Python
L.runs[0].step # list of time steps in first run L.runs[0].thermo.Step # list of time steps in first run
L.runs[0].ke # list of kinetic energy values in first run L.runs[0].thermo.Ke # list of kinetic energy values in first run
Together with matplotlib plotting data out of LAMMPS becomes simple: Together with matplotlib plotting data out of LAMMPS becomes simple:
import matplotlib.plot as plt
.. code-block:: Python .. code-block:: Python
steps = L.runs[0].step import matplotlib.plot as plt
ke = L.runs[0].ke steps = L.runs[0].thermo.Step
ke = L.runs[0].thermo.Ke
plt.plot(steps, ke) plt.plot(steps, ke)
Error handling with PyLammps Error handling with PyLammps