crysfipy - Tools for analysis of physical properties arising from crystal-field Hamiltonian

For list of modules and their descriptions see documentation at: TODO

Installation

1. Create an empty virtual environment with the python version specified in setup.py: python-version
2. Install crysfipy locally with python setup.py or pip install ..
3. TODO PyPi availability

Installation FAQ:

• For a lightweight, fast installation miniconda is a great solution. A throwback is, its package manager conda or pip will nominally install the newest version of packages from their channels, which may produce problems. A good solution is to check the list of packages installed by Anaconda for your platform (https://docs.anaconda.com/anaconda/packages/pkg-docs/) and follow the version of packages from there. Otherwise, one might need to carefully test which version of each packages are compatible with each other.

• setup.py file should contain the compatible combination of packages.

• Install with python setup.py develop or pip install -e . in development mode, so that all changes in the source code will work for future local scripts.

• For full development utilities, development mode +packages to build the docs, do pip install -e .[dev].

• One can also just download all source files from this Github project to a location PATH, and in each python file include lines

  import sys

  sys.path.append(PATH)

• numpy==1.23.1 requires python>3.10 I believe. It didnt want to work with python==3.8