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Bug in CUDA exx ek screening

Status: Open.

#154 In wavefunction91/GauXC;

· vmitq opened on Oct 6, 2025

Laqua-Kussmann-Ochsenfeld partitioning

Status: Open.

#150 In wavefunction91/GauXC;

· susilehtola opened on Jun 15, 2025

Extension to Slater-type orbitals

Status: Open.

#149 In wavefunction91/GauXC;

· susilehtola opened on May 30, 2025

Modified SSF partitioning function

Status: Open.

#142 In wavefunction91/GauXC;

· susilehtola opened on Apr 4, 2025

Numerical inaccuracies on consumer grade GPUs

Status: Open.

#134 In wavefunction91/GauXC;

· mikovtun opened on Jul 8, 2024

Implement support for auxiliary density DFT

Status: Open.

#133 In wavefunction91/GauXC;

· susilehtola opened on Jun 15, 2024

Add <code>CUBE</code> file Generator

Status: Open.

#128 In wavefunction91/GauXC;

· wavefunction91 opened on May 22, 2024

Improve CMake Unit Tests

Status: Open.

#116 In wavefunction91/GauXC;

· wavefunction91 opened on Apr 3, 2024

Add logging capabilities

Status: Open.

#115 In wavefunction91/GauXC;

· wavefunction91 opened on Apr 1, 2024

Coulomb potential evaluator

new-functionalityAdds a capability to GauXCAdds a capability to GauXC

Status: Open.

#96 In wavefunction91/GauXC;

· susilehtola opened on Feb 23, 2024

flexible ordering

Status: Open.

#94 In wavefunction91/GauXC;

· loriab opened on Jan 25, 2024

Add HIP to CI

Status: Open.

#89 In wavefunction91/GauXC;

· wavefunction91 opened on Nov 18, 2023