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[Nexus] Optimal Tile Matrix Refactor and Documentation

documentation

nexus

Status: Open.

Task

#5697 In QMCPACK/qmcpack;

· brockdyer03 opened on Dec 12, 2025

VMC Optimization Error "Safeguard failure: checkConfigurations variance out of [0.5, 2.0]"

Status: Open.

#5693 In QMCPACK/qmcpack;

· kyuuuuan opened on Dec 9, 2025

Excited state energy of Silicon crystal is wrong when the trial wavefnction generate from PySCF

Status: Open.

#5684 In QMCPACK/qmcpack;

· huangxxxxxxxx opened on Dec 5, 2025

Update NEXUS examples to use batched drivers

good first issueGood for newcomersGood for newcomers

nexus

Status: Open.

Feature

#5658 In QMCPACK/qmcpack;

· prckent opened on Oct 29, 2025

ppconvert tests started failing with cuda 12.9 docker image

bug

Status: Open.

#5655 In QMCPACK/qmcpack;

· correaa opened on Oct 26, 2025

MPC correction has gone wrong

bug

Status: Open.

#5640 In QMCPACK/qmcpack;

· huangxxxxxxxx opened on Oct 16, 2025

How to Optimize Orbitals and CI Coefficients

question

Status: Open.

#5633 In QMCPACK/qmcpack;

· NastaMauger opened on Oct 4, 2025

Nexus: Custom is_int() function in qmcpack_input.py Script Will Make Scientific Notation "Int" Valued for Python 3.12.2

bug

nexus

Status: Open.

#5626 In QMCPACK/qmcpack;

· hgriffin-ux opened on Sep 26, 2025

Nexus: refactor to become a true Python package

enhancement

nexus

Status: Open.

#5623 In QMCPACK/qmcpack;

· jtkrogel opened on Sep 24, 2025

Nexus: Improve + surface QMC optimization handling

enhancement

nexus

Status: Open.

#5606 In QMCPACK/qmcpack;

· prckent opened on Sep 10, 2025

Nexus: Failed jobs not caught, running forever

bug

nexus

Status: Open.

#5605 In QMCPACK/qmcpack;

· prckent opened on Sep 10, 2025

Default value for cutoff/radius in open or semi-open BC

discussion

Status: Open.

#5602 In QMCPACK/qmcpack;

· ye-luo opened on Sep 8, 2025