From 3aed4eb74c1b17bfae7595c22e37e4067db878d1 Mon Sep 17 00:00:00 2001 From: Evangelos Voyiatzis Date: Tue, 26 Nov 2019 21:52:31 +0100 Subject: [PATCH] Update Howto_pylammps.rst --- doc/src/Howto_pylammps.rst | 11 +++++------ 1 file changed, 5 insertions(+), 6 deletions(-) diff --git a/doc/src/Howto_pylammps.rst b/doc/src/Howto_pylammps.rst index 64f1cc6036..2711e26914 100644 --- a/doc/src/Howto_pylammps.rst +++ b/doc/src/Howto_pylammps.rst @@ -362,18 +362,17 @@ accessible through its thermo name: .. code-block:: Python - L.runs[0].step # list of time steps in first run - L.runs[0].ke # list of kinetic energy values in first run + L.runs[0].thermo.Step # list of time steps 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: -import matplotlib.plot as plt - .. code-block:: Python - steps = L.runs[0].step - ke = L.runs[0].ke + import matplotlib.plot as plt + steps = L.runs[0].thermo.Step + ke = L.runs[0].thermo.Ke plt.plot(steps, ke) Error handling with PyLammps