v0.15.1

adccore version: 0.14.2 -> 0.14.3

Changelog

• Travis updates: Uploads coverage and installs CPPE from pip (#73, #75)
• Modified transition moments, state densities and transition densities implemented in python (#74, #77)
• Export to ExcitedStates to pandas dataframe (#78)
• Block-wise ADC matrix tests (#79)

v0.15.0

adccore version: 0.13.7 -> 0.14.2

Changelog

• Apply perturbative linear-response and state-specific corrections to excitation energies if ground state uses polarisable embedding (#30)
• Lazy evaluation of tensor expressions (#65, #69)
• Implement lazy direct_sum, tensordot and einsum on adcc tensors (#65, #66)
• Documentation improvements (#65, #67)
• Relax numpy pin in conda packages (#68)

v0.14.3

adccore version: 0.13.7

Changelog

• Documentation improvements (#50, #60)
• Bugfix in operator import (#57)
• Rotatory strengths, magnetic moments and ECD spectra (#56)
• CIS function (#56)
• Python 3.8 in conda (#56)

v0.14.2

adccore version: 0.13.7

Changelog

• More lax and better fitting conda dependencies (#49)

v0.14.1

adccore version: 0.13.6 -> 0.13.7

Changelog

• Deploy python 3.6 and 3.7 to conda (#47)

v0.14.0

adccore version: 0.13.5 -> 0.13.6

Changelog

• Testing and support for python 3.8 (#38)
• Reduce memory and performance for import of electron-repulsion integrals (#39, #40)
• Conda support (#41, #42, #43, #44, #45)
• Various improvements to documentation

v0.13.4

adccore version: 0.13.5

Changelog

• Try adcc in binder (#36)
• Add AdcBlockView and refactor run_adc (#37)

v0.13.3

adccore version: 0.13.4 -> 0.13.5

Changelog

• Bugfix printing transition dipole moments (#31)
• Refactor threading interface (#28 and #29)
• Documentation improvements (#29 and #33)

v0.13.2

adccore version: 0.13.1 -> 0.13.4

Changelog

• Bugfixes for MacOS installation (#1)
• Remove ctx dependency (#11)
• Support clang as a compiler (#15)
• Drop support for python 3.5 (#19)
• Improved support for UHF references (#20)
• Preparations for integration with Psi4 (#21)
• Implement printing of important amplitudes (#22)

v0.13.1

Merge branch 'add-publications' of adcman/adcc into master