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Pull requests list

Additional operator integrals and selection of gauge origin
#169 opened Aug 3, 2023 by frieschneider Loading… updated Mar 5, 2025
1 task
32
Make operator definitions consistent
#190 opened Feb 6, 2025 by apapapostolou • Draft updated Mar 5, 2025
1 of 2 tasks
@jonasleitner
Fix orthgonality loss in Davidson using Gram-Schmidt reorthogonalisation
#191 opened Feb 26, 2025 by AdrianLDempwolff • Draft updated Mar 4, 2025
@AdrianLDempwolff @jonasleitner @apapapostolou
IP/EA-ADC up to 3rd order
#168 opened Jul 17, 2023 by fedy9 Loading… updated Dec 11, 2024
@jonasleitner
30
Nuclear Gradients
#124 opened Jan 13, 2021 by maxscheurer Loading… updated Oct 23, 2024
16 of 20 tasks
57
Davidson works when doubles folding in ADC(2)
#176 opened Aug 16, 2024 by TianLin-228 Loading… updated Aug 29, 2024
Increase inheritable objects
#174 opened Jul 27, 2024 by BauerMarco Loading… updated Aug 26, 2024
7
Full and approximate polaritonic ADC energies up to second order
#153 opened Aug 9, 2022 by BauerMarco Loading… updated Feb 28, 2024
11
Fix small inconsistencies in ExcitedStates
#64 opened May 21, 2020 by mfherbst • Draft updated May 27, 2020
4
ProTip! Updated in the last three days: updated:>2025-03-02.