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Correct table in Python_examples.rst

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Richard Berger
2020-10-16 17:34:32 -04:00
parent 4534e78df1
commit 91a1e9abb4
1 changed files with 21 additions and 25 deletions
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doc/src/Python_examples.rst
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@ -10,30 +10,26 @@ things that are possible when Python wraps LAMMPS. If you create your
own scripts, send them to us and we can include them in the LAMMPS
distribution.
+----------------------------------------------------------------+--------------------------------------------------+
| trivial.py | read/run a LAMMPS input script through Python |
+----------------------------------------------------------------+--------------------------------------------------+
| demo.py | invoke various LAMMPS library interface routines |
+----------------------------------------------------------------+--------------------------------------------------+
| simple.py | run in parallel |
+----------------------------------------------------------------+--------------------------------------------------+
| similar to examples/COUPLE/simple/simple.cpp | split.py |
+----------------------------------------------------------------+--------------------------------------------------+
| same as simple.py but running in parallel on a subset of procs | gui.py |
+----------------------------------------------------------------+--------------------------------------------------+
| GUI go/stop/temperature-slider to control LAMMPS | plot.py |
+----------------------------------------------------------------+--------------------------------------------------+
| real-time temperature plot with GnuPlot via Pizza.py | viz_tool.py |
+----------------------------------------------------------------+--------------------------------------------------+
| real-time viz via some viz package | vizplotgui_tool.py |
+----------------------------------------------------------------+--------------------------------------------------+
| combination of viz_tool.py and plot.py and gui.py | |
+----------------------------------------------------------------+--------------------------------------------------+
+------------------------+--------------------------------------------------------------------+
| ``trivial.py`` | read/run a LAMMPS input script through Python |
+------------------------+--------------------------------------------------------------------+
| ``demo.py`` | invoke various LAMMPS library interface routines |
+------------------------+--------------------------------------------------------------------+
| ``simple.py`` | run in parallel, similar to ``examples/COUPLE/simple/simple.cpp`` |
+------------------------+--------------------------------------------------------------------+
| ``split.py`` | same as ``simple.py`` but running in parallel on a subset of procs |
+------------------------+--------------------------------------------------------------------+
| ``gui.py`` | GUI go/stop/temperature-slider to control LAMMPS |
+------------------------+--------------------------------------------------------------------+
| ``plot.py`` | real-time temperature plot with GnuPlot via Pizza.py |
+------------------------+--------------------------------------------------------------------+
| ``viz_TOOL.py`` | real-time viz via some viz package |
+------------------------+--------------------------------------------------------------------+
| ``vizplotgui_TOOL.py`` | combination of ``viz_TOOL.py`` and ``plot.py`` and ``gui.py`` |
+------------------------+--------------------------------------------------------------------+
----------
For the ``viz_tool.py`` and ``vizplotgui_tool.py`` commands, replace "tool"
with "gl" or "atomeye" or "pymol" or "vmd", depending on what
For the ``viz_TOOL.py`` and ``vizplotgui_TOOL.py`` commands, replace ``TOOL``
with ``gl`` or ``atomeye`` or ``pymol`` or ``vmd``, depending on what
visualization package you have installed.
Note that for GL, you need to be able to run the Pizza.py GL tool,
@ -45,7 +41,7 @@ which is included in the pizza sub-directory. See the Pizza.py doc pages for mo
Note that for AtomEye, you need version 3, and there is a line in the
scripts that specifies the path and name of the executable. See the
AtomEye webpages for more details:
AtomEye web pages for more details:
* `http://li.mit.edu/Archive/Graphics/A/ <atomeye_>`_
* `http://li.mit.edu/Archive/Graphics/A3/A3.html <atomeye3_>`_
@ -59,7 +55,7 @@ capability needed by these Python scripts.
Note that for PyMol, you need to have built and installed the
open-source version of PyMol in your Python, so that you can import it
from a Python script. See the PyMol webpages for more details:
from a Python script. See the PyMol web pages for more details:
* `https://www.pymol.org <pymolhome_>`_
* `https://github.com/schrodinger/pymol-open-source <pymolopen_>`_