• Support newer GCC compilers (e.g., on Conda) #165

• Fix bug with transition moments of antisymmetric/asymmetric operators (#158)

Changelog

• Bug fix with pyscf import when cppe is not installed on the system #145

What's changed

• Drop python 3.6 (#134)
• Pandas and matplotlib are optional dependencies (#141)
• Remove conda release scripts (now on conda-forge) and refactor python CI (#143)

Full Changelog: https://github.com/adc-connect/adcc/compare/v0.15.9...v0.15.10

Changelog

• Support for Python 3.9 (#114)
• OneParticleOperator on the python side (#119)
• Various smaller fixes (#114, #125)

adccore version: 0.14.4 -> integrated into libadcc

All components of adcc are now a fully open-source and released under a GNU GPL 3.0. We encourage everyone from the community to freely use, improve and contribute to adcc. Please get in touch with us (New issue, [email protected]) if you have a project in mind. We're happy to help.

Changelog

• Adccore is now integrated into libadcc (thus adccore is obsolete) (#106)

adccore version: 0.14.4

Changelog

• ADC equations implemented on the python side (#71)
• MP equations implemented on the python side (#104)

adccore version: 0.14.4

Changelog

• Fix some pypi deployment issues.

adccore version: 0.14.3 -> 0.14.4

Changelog

• Implement state-to-state transition densities and properties (#91)
• Switch CI to github actions (#97, #99, #103)
• Implement singles guesses on the python side (#98)
• Modularise Lanczos solver more (#102)

adccore version: 0.14.3

Changelog

• Documentation extensions (#87, #89, #90, #92)
• Fixes related to pybind11 and HDF5 updates (#93)
• Implementation of Block-Lanczos eigensolver (#94)
• to_qcvars function to integrate with QCEngine in the future (#96)