Create automatic workflows for yambo using python.
Yambo official website: http://www.yambo-code.org/
Yambo Github page: https://github.com/yambo-code/yambo
Local installation
python setup.py develop --user
Global installation
python setup.py install
You can read the documentation in: http://yambopy.readthedocs.org/en/latest/
- Create Yambo and Quantum Espresso input files from python
- Collect the output data in .json files for analysis
- Plot the results using matplotlib
- Test suite
- Tutorial
- Generate input files and compare to reference
- Generate input files, run the calculations using Quantum Espresso and Yambo
- Plot the results using matplotlib
- yambo (>4.0.0): http://www.yambo-code.org/
- numpy: http://www.numpy.org/
- matplotlib: http://matplotlib.org/
- netCDF4: http://unidata.github.io/netcdf4-python/ => pip install netcdf4 --user (AM)
- HDF5 => aptitude install libhdf5-serial-dev package (AM)
- Quantum Espresso (optional): http://www.quantum-espresso.org/
- Automatic convergence tests (increase a certain variable until the final result changes less than a certain threshold)
- Henrique Pereira Coutada Miranda
- Alejandro Molina Sanchez
- Fulvio Paleari
- Alexandre Morlet
The code is at an early stage of development, help us by sending bug reports, patches and suggestions!