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Restructure code/Modularize code

Status: Open.

#145 In shivupa/polyquant;

· shivupa opened on Mar 5, 2025

Higher Angular momentum integrals

Status: Open.

#141 In shivupa/polyquant;

· shivupa opened on May 2, 2023

Freezing densities in SCF is untested

bugSomething isn't workingSomething isn't working

Status: Open.

#138 In shivupa/polyquant;

· shivupa opened on Jan 26, 2023

Formalize input

Status: Open.

#135 In shivupa/polyquant;

· shivupa opened on Jan 16, 2023

Improve SCF restart

Status: Open.

#133 In shivupa/polyquant;

· shivupa opened on Jan 10, 2023

Memory mapped MO Integrals

long term

Status: Open.

#132 In shivupa/polyquant;

· shivupa opened on Jan 5, 2023

Mock things in tests

long term

Status: Open.

#131 In shivupa/polyquant;

· shivupa opened on Jan 5, 2023

Use a parallel hashmap

Status: Open.

#130 In shivupa/polyquant;

· shivupa opened on Jan 5, 2023

Better screening in CI

Status: Open.

#127 In shivupa/polyquant;

· shivupa opened on Jan 5, 2023

Symmetry -linear molecules

Status: Open.

#120 In shivupa/polyquant;

· shivupa opened on Nov 7, 2022

clean up docs

Status: Open.

#113 In shivupa/polyquant;

· shivupa opened on Oct 6, 2022

clean readme

Status: Open.

#112 In shivupa/polyquant;

· shivupa opened on Oct 6, 2022