radicalpy - 0.9.2

@KenHino's Symmetry reduction sparse cholesky

- Python
Published by vatai 5 months ago

radicalpy - 0.9.1

Most importantly fixed publishing to pypi (I hope)

- Python
Published by vatai 5 months ago

radicalpy - 0.9.0

Many contributions from @KenHino !

- Python
Published by vatai 5 months ago

radicalpy - 0.8.1

What's Changed

• Fix missing import by @vatai in https://github.com/Spin-Chemistry-Labs/radicalpy/pull/159

Full Changelog: https://github.com/Spin-Chemistry-Labs/radicalpy/compare/v0.8.0...v0.8.1

- Python
Published by vatai over 1 year ago

radicalpy - 0.8.0

What's Changed

• 131 move anisotropy and mary to a new experimentspy module by @vatai in https://github.com/Spin-Chemistry-Labs/radicalpy/pull/157

Full Changelog: https://github.com/Spin-Chemistry-Labs/radicalpy/compare/v0.7.2...v0.8.0

- Python
Published by vatai over 1 year ago

radicalpy - 0.7.2

• Add MSE
• Fix docs

- Python
Published by vatai over 1 year ago

radicalpy - 0.7.1

Fix 3d dipolar

- Python
Published by vatai over 1 year ago

radicalpy - 0.7.0

Added - Schulten-Wolynes semiclassical. - our new method.

- Python
Published by vatai over 1 year ago

radicalpy - 0.6.5

- Python
Published by vatai over 2 years ago

radicalpy - 0.6.4

Merge the equation rate branch... (graph drawing not fully working)

- Python
Published by vatai over 2 years ago

radicalpy - 0.6.3

Cleanup, better docs

- Python
Published by vatai over 2 years ago

radicalpy - 0.6.2

Remove extra gamma multiplier

- Python
Published by vatai over 2 years ago

radicalpy - 0.6.1

Fix reshaping for Anisotropy + Liouville space

- Python
Published by vatai over 2 years ago

radicalpy - v0.6.0

Fix anysotropy + Liouville.

- Python
Published by vatai over 2 years ago

radicalpy - 0.5.9

New autocorrelation_fit

- Python
Published by vatai over 2 years ago

radicalpy - 0.5.8

Fix packaging (JSONs were not being included).

- Python
Published by vatai over 2 years ago

radicalpy - 0.5.7

Fix bug with new python (add test matrix).

- Python
Published by vatai over 2 years ago

radicalpy - 0.5.6

Smaller improvements. Migrate to pyproject.toml

- Python
Published by vatai almost 3 years ago

radicalpy - 0.5.5

• New Molecule interface

- Python
Published by vatai almost 3 years ago

radicalpy - 0.5.4

- Python
Published by vatai about 3 years ago

radicalpy - 0.5.2

Some cleanup in docs, readme etc.

- Python
Published by vatai about 3 years ago

radicalpy - v0.5rc1

Got functionality ready for an initial presentation. Tests and docs still lacking.

- Python
Published by vatai about 3 years ago

radicalpy - 0.4rc4

- Python
Published by lmantill about 3 years ago

radicalpy - 0.4rc3

- Python
Published by lmantill about 3 years ago

radicalpy - Fix size in `HaberkornFree`

- Python
Published by vatai about 3 years ago

radicalpy - Quantum simulations

- Python
Published by vatai about 3 years ago

radicalpy - 0.2rc1

MARY should be available now

- Python
Published by vatai over 3 years ago

radicalpy - Add data and JSON files

- Python
Published by vatai over 3 years ago