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Issues list

mkl not properly built with conda bug
#151 opened May 11, 2022 by t-fransson
Higher dimensional Tensors
#147 opened Feb 14, 2022 by jonasleitner
Run example scripts on CI CI testing
#142 opened Jan 13, 2022 by maxscheurer
Conda-forge deployment CI
#138 opened Jan 8, 2022 by maxscheurer
4 tasks done
Eigensolvers for non-symmetric matrices feature
#135 opened Dec 16, 2021 by maxscheurer
AdcMatrix for different ADC schemes
#129 opened May 25, 2021 by Drvanon
How to obtain the one-particle density matrix of the MP ground state properties usage
#128 opened Apr 21, 2021 by Edumars
Use GHA Setup-Miniconda CI
#120 opened Dec 28, 2020 by maxscheurer
Roadmap for 0.16.0
#113 opened Dec 10, 2020 by mfherbst
7 of 10 tasks
Automatic documentation deployment CI documentation
#112 opened Dec 10, 2020 by mfherbst
Jacobi-Anderson solver feature
#111 opened Dec 10, 2020 by mfherbst
Basis set interpolation of ADC amplitude vectors
#110 opened Dec 10, 2020 by mfherbst
6 tasks
Checkpointing for ADC calculations feature
#109 opened Dec 10, 2020 by mfherbst
4 tasks
Better automatic selection of frozen-core and frozen-virtual feature
#108 opened Dec 10, 2020 by mfherbst
CVS State-to-state transition densities feature
#101 opened Nov 27, 2020 by maxscheurer
Feature suggestion: Support for adding custom subspaces feature
#100 opened Nov 25, 2020 by obackhouse
More verbose output if desired feature
#88 opened Aug 21, 2020 by maxscheurer
ESP charges feature properties
#82 opened Jul 12, 2020 by Edumars
Implement PCM and other solvation models supported in backends feature properties
#70 opened May 31, 2020 by mfherbst
Visualisation ideas properties
#63 opened May 20, 2020 by mfherbst
CIS functionality tests feature properties testing
#59 opened May 5, 2020 by maxscheurer
Serialisation of ExcitedStates to disk / pandas feature
#55 opened Apr 15, 2020 by mfherbst
1 of 3 tasks
ProTip! Updated in the last three days: updated:>2022-08-10.