* Debug the charge reading and mwfn for charged system * Add Fukui function example
0.4
* Read charge from json * Add qstate keyword * Debug for building pip package
0.3.1
- Fitting fireball basis set to Gaussian type basis set - Reading orbital coefficients and writing them to mwfn format - Example of the mwfn file generation and - Pass the tests with Multiwfn: electron density, normalization, etc - Read force from json output.
0.2.4
- Fitting fireball basis set to Gaussian type basis set with basin hopping - Reading orbital coefficients and writing them to mwfn - Test the generated mwfn file with Multiwfn: electron density, normalization, etc - Read force from json output. [with help from Jin Xi]