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28 Open 20 Closed
28 Open 20 Closed
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Issues list

Allow for P-Q splitting in OATDCCD and OMP2
#104 opened Sep 13, 2022 by haakoek
@haakoek @Schoyen
Prototype implementations of CCSDT, CCDT and NOCCDT
#103 opened Sep 13, 2022 by haakoek
@haakoek @Schoyen
Implement consistency tests for general and restricted/closed-shell implementations.
#101 opened Sep 8, 2022 by haakoek
@haakoek @Schoyen
Implement FCI, CCSD, and NOCCD consistency test.
#100 opened Sep 8, 2022 by haakoek
@haakoek @Schoyen
Implement test for the conservation of the CC Lagrangian after an initial pulse.
#99 opened Sep 8, 2022 by haakoek
@haakoek
Implement test for trace of one- and two-body density matrices for all methods
#98 opened Sep 8, 2022 by haakoek
@haakoek
Implement test for one and two-body density matrices by evaluating the CC Lagrangian
#97 opened Sep 8, 2022 by haakoek
@haakoek
Implement the Hellman-Feynman finite difference test for CC methods.
#96 opened Sep 8, 2022 by haakoek
@haakoek @Schoyen
Implement test for the CC phase with zero field
#95 opened Sep 8, 2022 by haakoek
@haakoek
Implement TD-EOM-CC for linear spectroscopy
#94 opened Sep 8, 2022 by haakoek
@haakoek @einaur
Move t1_transform_integrals from CC2 to CC
#89 opened Aug 23, 2022 by einaur
@haakoek
TDRCC2 test deprecated.
#87 opened Aug 16, 2022 by haakoek
@haakoek
1
oaccd/roaccd orbital derivative right-hand sides
#81 opened Nov 9, 2021 by haakoek
Build documentation using Github actions enhancement New feature or request
#71 opened May 18, 2021 by Schoyen
Store both coefficients and amplitudes as attributes enhancement New feature or request
#61 opened Mar 25, 2021 by Schoyen
Test for correct system type enhancement New feature or request
#60 opened Mar 24, 2021 by Schoyen
Erroneous Q-space equations bug Something isn't working invalid This doesn't seem right
#51 opened Apr 28, 2020 by halvarsu
1
Remove redundant methods enhancement New feature or request
#41 opened Mar 13, 2020 by Schoyen
@Schoyen
Avoid constructing amplitudes from passed arrays multiple times enhancement New feature or request
#40 opened Mar 13, 2020 by Schoyen
Merge all the CC enhancement New feature or request
#38 opened Mar 10, 2020 by halvarsu
Make it possible to set custom initial guess for t and lambda amplitudes enhancement New feature or request help wanted Extra attention is needed
#37 opened Mar 10, 2020 by haakoek
Remove matrix elements from time dependent solvers enhancement New feature or request help wanted Extra attention is needed
#36 opened Mar 10, 2020 by halvarsu
Compute reference energy in system enhancement New feature or request
#34 opened Feb 20, 2020 by Schoyen
@Schoyen
Test cases for CCS
#28 opened Feb 12, 2020 by Schoyen
1
Implement imaginary time-propagation for all solvers enhancement New feature or request help wanted Extra attention is needed
#26 opened Feb 4, 2020 by Schoyen
4
ProTip! Updated in the last three days: updated:>2024-06-03.