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13 Open 22 Closed
13 Open 22 Closed
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Issues list

Incorrect Variable Name nword2 Instead of nword in GenCIWfn Constructor
#82 opened Nov 12, 2024 by q-pratz-chem
1
Add Jacobi-Davidson Solver (and shift-invert mode?)
#73 opened Aug 18, 2024 by PaulWAyers
@msricher
Implement CIPSI as an alternative to HCI/GKCI
#72 opened Aug 18, 2024 by PaulWAyers
@msricher @JamesSMAnderson
Automatic Determination of Number of Orbital Nodes (for GKCI)
#71 opened Jul 8, 2024 by PaulWAyers
1
FanPT (Perturbation Theory for Parameterized Projected Schrodinger Equation)
#62 opened May 7, 2024 by PaulWAyers
@carlosevmoura
4
Stabilize code and release new version in accordance with paper release and the end of the course
#60 opened May 3, 2024 by msricher
4 tasks
HIgher-Order Reduced Density Matrices
#58 opened May 1, 2024 by PaulWAyers
@DanielCalero1
2
cyclic Dykstra
#53 opened Apr 24, 2024 by RichRick1
von Neumann cyclic permutation
#51 opened Apr 24, 2024 by RichRick1
@AlexandreDeCamargo
Closest N-representable Density Matrix (Semidefinite and Equality Constraints)
#46 opened Apr 24, 2024 by AlexandreDeCamargo
1
pCCDS Overlap Derivatives
#42 opened Apr 19, 2024 by carlosevmoura
1
Orbital (Local) Optimization
#30 opened Mar 28, 2024 by PaulWAyers
Notebooks
#6 opened Oct 4, 2023 by msricher
@FarnazH @msricher @marco-2023
1
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