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Nonstandard Irrep Matrices / SymText for Arbitrary Orientations

enhancementNew feature or requestNew feature or request

help wantedExtra attention is neededExtra attention is needed

Status: Open.

Feature

#67 In NASymmetry/MolSym;

· nlk36701 opened on Jul 5, 2026

Tests for complex SALCs

Status: Open.

#57 In NASymmetry/MolSym;

· sgoodlett opened on Jun 2, 2025

Tests for Cartesian SALCs

Status: Open.

#56 In NASymmetry/MolSym;

· sgoodlett opened on Jun 2, 2025

More Tests

Status: Open.

#55 In NASymmetry/MolSym;

· sgoodlett opened on Jun 2, 2025

Linearize: SALCs

Status: Open.

#53 In NASymmetry/MolSym;

· sgoodlett opened on May 21, 2025

Linearize: Symtext

Status: Open.

#52 In NASymmetry/MolSym;

· sgoodlett opened on May 21, 2025

Make MolSym SALCs compatible with Psi4 CDSalcs

Status: Open.

#51 In NASymmetry/MolSym;

· sgoodlett opened on May 21, 2025

Integrate MolSym and Optking

Status: Open.

#50 In NASymmetry/MolSym;

· sgoodlett opened on May 21, 2025

Replace Psi4 symmetry on Python side with MolSym

Status: Open.

#49 In NASymmetry/MolSym;

· sgoodlett opened on May 21, 2025

Integrate MolSym into Psi4 Finite Difference Driver

Status: Open.

#48 In NASymmetry/MolSym;

· sgoodlett opened on May 21, 2025

Potential Feature for Findif processes

enhancementNew feature or requestNew feature or request

Status: Open.

#45 In NASymmetry/MolSym;

· MitchLahm opened on Apr 16, 2025

Symtext and SALC workflows incomplete for linear molecules

enhancementNew feature or requestNew feature or request

Status: Open.

#35 In NASymmetry/MolSym;

· sgoodlett opened on Nov 4, 2024