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Fix small typos in documentation
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lorisercole committed Jun 28, 2022
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2 changes: 1 addition & 1 deletion examples/03_cmdline_example_silica/README.md
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# Example 3: command line (silica)

In this example we perform the same analysis that is performed in the correspondent [example notebook](../02_example_cepstrum_doublecomp_NaCl.ipynb), but using the command-line interface.
In this example we perform the same analysis that is performed in the correspondent [example notebook](../01_example_cepstrum_singlecomp_silica.ipynb), but using the command-line interface.

Simply run, after installing the package, the following command (see [`run_example.sh`](run_example.sh)):

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2 changes: 1 addition & 1 deletion examples/README.md
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Expand Up @@ -16,5 +16,5 @@ These examples show how to use the `sportran` package in a Python script, step b

These examples show how to use the command line program `sportran-analysis` (`analysis.py`) to perform cepstral analysis in a straightforward way. This is an expedient tool to analyse a time series using predefined parameters. Results are produced in the form of several text/binary files and pdf plots.

* [03 - Command-line Silica](03_cmdline_example_silica/): analysis of molten NaCl, a two-component system.
* [03 - Command-line Silica](03_cmdline_example_silica/): analysis of silica glass, a one-component system.
* [04 - Command-line NaCl](04_cmdline_example_NaCl/): analysis of molten NaCl, a two-component system.
8 changes: 4 additions & 4 deletions examples/data/Silica/lammps/README.md
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# Example inputs for LAMMPS simulation of glass silica
# Example inputs files for LAMMPS simulation of silica glass

In the folder [examples/data/Silica/lammps](https://github.com/sissaschool/sportran/tree/develop/examples/data/Silica/lammps) you can find an example input file to generate some data that you can analyze with sportran.
To run it you need a working LAMMPS installation and to run the file with, for example
In the folder [examples/data/Silica/lammps](https://github.com/sissaschool/sportran/tree/develop/examples/data/Silica/lammps) you can find an example LAMMPS input file, to generate heat-flux data that can be analyzed with SporTran.
To run it you need a working LAMMPS installation and to launch the simulation with, for example:

mpirun -np 12 lmp_mpi -in silica.in -log silica.out

After this it is possible to extract a simple table file by running the script `convert_lammps_log.sh`.
After this it is possible to extract the data and export it into a simple *table file* and a *numpy binary data file* by running the script `convert_lammps_log.sh`.
This input generated the data used in the silica examples.

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