Skip to content

Issues: HyQD/coupled-cluster

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

28 Open 20 Closed
28 Open 20 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Assignee
Filter by who’s assigned
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

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! Exclude everything labeled bug with -label:bug.