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Nonlinear least squares solver

Status: Open.

#107 In theochem/PyCI;

· PaulWAyers opened on Jul 10, 2025

Dealing with Spin

good first issueGood for newcomersGood for newcomers

help wantedExtra attention is neededExtra attention is needed

Status: Open.

#106 In theochem/PyCI;

· PaulWAyers opened on May 6, 2025

Add PyCI paper citation to Web Site and "readme" on the GitHub.

Status: Open.

#94 In theochem/PyCI;

· PaulWAyers opened on Feb 3, 2025

Dependecies in installation tutorial

Status: Open.

#86 In theochem/PyCI;

· JoPuli opened on Dec 12, 2024

Purification of 2-body DMs

Status: Open.

#84 In theochem/PyCI;

· ghb24 opened on Dec 5, 2024

Incorrect Variable Name nword2 Instead of nword in GenCIWfn Constructor

Status: Open.

#82 In theochem/PyCI;

· q-pratz-chem opened on Nov 12, 2024

Add Jacobi-Davidson Solver (and shift-invert mode?)

Status: Open.

#73 In theochem/PyCI;

· PaulWAyers opened on Aug 18, 2024

Implement CIPSI as an alternative to HCI/GKCI

Status: Open.

#72 In theochem/PyCI;

· PaulWAyers opened on Aug 18, 2024

Automatic Determination of Number of Orbital Nodes (for GKCI)

Status: Open.

#71 In theochem/PyCI;

· PaulWAyers opened on Jul 8, 2024

FanPT (Perturbation Theory for Parameterized Projected Schrodinger Equation)

Status: Open.

#62 In theochem/PyCI;

· PaulWAyers opened on May 7, 2024

Stabilize code and release new version in accordance with paper release and the end of the course

Status: Open.

#60 In theochem/PyCI;

· msricher opened on May 3, 2024

cyclic Dykstra

Status: Open.

#53 In theochem/PyCI;

· RichRick1 opened on Apr 24, 2024