Thunder-ase

Latest version: v0.8.3

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0.4.1

* 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]

0.2.2

0.2.1

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