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Since PySCF-2.3, B3LYP (and B3P86) are changed...

bugSomething isn't workingSomething isn't working

Status: Open.

#171 In NLESC-JCER/QMCTorch;

· Konjkov opened on Dec 3, 2024

Atomic Orbitals above d-orbitals

enhancementNew feature or requestNew feature or request

Status: Open.

#159 In NLESC-JCER/QMCTorch;

· NicoRenaud opened on Nov 23, 2023

Improving sampling techniques

Status: Open.

#84 In NLESC-JCER/QMCTorch;

· NicoRenaud opened on Mar 9, 2021

Benchmark/Optimization of the MH sampling

Status: Open.

#81 In NLESC-JCER/QMCTorch;

· NicoRenaud opened on Mar 9, 2021

Horovod integration

Status: Open.

#80 In NLESC-JCER/QMCTorch;

· NicoRenaud opened on Mar 9, 2021

Replace string representing files with Path

enhancementNew feature or requestNew feature or request

Status: Open.

#67 In NLESC-JCER/QMCTorch;

· felipeZ opened on Oct 30, 2020

Add some type annotations

enhancementNew feature or requestNew feature or request

Status: Open.

#65 In NLESC-JCER/QMCTorch;

· felipeZ opened on Oct 30, 2020

Diffusion Monte Carlo

Status: Open.

#10 In NLESC-JCER/QMCTorch;

· NicoRenaud opened on May 1, 2020

Implement a traditional VMC algorithm

Status: Open.

#9 In NLESC-JCER/QMCTorch;

· NicoRenaud opened on May 1, 2020

Stochastic Reconfiguration optimizer

Status: Open.

#8 In NLESC-JCER/QMCTorch;

· NicoRenaud opened on May 1, 2020

Horovod solver

Status: Open.

#7 In NLESC-JCER/QMCTorch;

· NicoRenaud opened on May 1, 2020