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Add logging

enhancement

Status: Open.

#205 In berquist/pymolresponse;

· berquist opened on Jan 20, 2026

"chore: pixi update" is annoying and probably wrong

Status: Open.

#203 In berquist/pymolresponse;

· berquist opened on Jan 18, 2026

Finish Wigner rule hyperpolarizability over arbitrary frequencies

enhancement

propertyAddition or modification of a molecular propertyAddition or modification of a molecular property

Status: Open.

#197 In berquist/pymolresponse;

· berquist opened on Jan 16, 2026

Allow using MLX instead of NumPy

build

enhancement

Status: Open.

#192 In berquist/pymolresponse;

· berquist opened on Jan 14, 2026

Add finite difference to API

coreCore parts of the package that the reference wavefunctions, solvers, or properties depend onCore parts of the package that the reference wavefunctions, solvers, or properties depend on

solverAddition or modification of a solver or the solver infrastructureAddition or modification of a solver or the solver infrastructure

Status: Open.

#183 In berquist/pymolresponse;

· berquist opened on Jan 9, 2026

Add finite difference for testing using feature API

Status: Open.

#182 In berquist/pymolresponse;

· berquist opened on Jan 9, 2026

Add hardcoded finite difference for testing

Status: Open.

#181 In berquist/pymolresponse;

· berquist opened on Jan 9, 2026

Add finite difference

Status: Open.

#180 In berquist/pymolresponse;

· berquist opened on Jan 9, 2026

Add developer documentation

documentation

enhancement

Status: Open.

#179 In berquist/pymolresponse;

· berquist opened on Jan 9, 2026

Migrate hyperpolarizability implementations from tests

enhancement

propertyAddition or modification of a molecular propertyAddition or modification of a molecular property

Status: Open.

#170 In berquist/pymolresponse;

· berquist opened on Jan 3, 2026

Implement unrestricted RPA for diagonalization

enhancement

solverAddition or modification of a solver or the solver infrastructureAddition or modification of a solver or the solver infrastructure

Status: Open.

#166 In berquist/pymolresponse;

· berquist opened on Dec 26, 2025

Implement unrestricted TDA for diagonalization

enhancement

solverAddition or modification of a solver or the solver infrastructureAddition or modification of a solver or the solver infrastructure

Status: Open.

#165 In berquist/pymolresponse;

· berquist opened on Dec 26, 2025