Within the framework of YamboPy, this is a GUI to explore exciton properties visually.
UNDER DEVELOPMENT!
YamboPy:
"Create automatic workflows for yambo and quantum espresso using python. Work directly with netCDF databases. Do pre/post-processing, data analysis and plotting for yambo and quantum espresso."
PySide6:
"Qt for Python offers the official Python bindings for Qt, which enables you to use Python to write your Qt applications."
PyQtGraph:
"PyQtGraph is a pure-python graphics and GUI library built on PyQt / PySide and numpy. It is intended for use in mathematics / scientific / engineering applications."
Create virtual environment, activate it and install dependencies:
python -m venv .venv
source .venv/bin/activate
pip install pyside6 pyqtgraph
Note that depending on the pyqtgraph version, you may need to install specific version 6.9.0 or 6.8.3 of pyside6. On this issue, see this question.
pip install --force-reinstall -v "pyside6==6.9.0"
Current development depends on the following YamboPy fork's branch:
So this dependency must be installed after cloning that fork and switching to that branch (ase-bz). Then:
pip install --editable . --config-settings editable_mode=compat
The last option of the previous command is useful for some IDEs to detect YamboPy's package, as noted here.
Finally, run as follows:
python main.py