Recent News

Download QMCPACK v3.12.0

Notes

This release incorporates several hundred changes to QMCPACK and the supporting ecosystem. It is a recommended release for all users. Note that compilers supporting C++17 and CMake version 3.15 or newer are now required.

Download QMCPACK v3.11.0

Notes

This release includes a large number of refinements to QMCPACK and the supporting ecosystem.

Download QMCPACK v3.10.0

Notes

This release contains multiple feature improvements and bug fixes. The AFQMC implementation has been significantly enhanced, and an important wavefunction optimization bug fixed in real space QMC.

Download QMCPACK v3.9.2

Notes

This is an important bug fix release. As described in GitHub issue #2330, since v3.8.0 the timestep was not correctly changed between different DMC blocks if the time step was changed in the input, biasing the results.

See the recordings on YouTube and workshop materials. We held a lecture and hands-on virtual workshop running October 5 - November 23, 2021. For more details see https://qmc2021.ornl.gov .

Download QMCPACK v3.9.1

Notes

This release is the same as v3.9.0 except that the version number of QMCPACK is reported correctly. See the v3.9.0 part of the CHANGELOG for important changes compared to v3.8.0.

Download QMCPACK v3.9.0

Notes

This release includes a large number of refinements to improve or extend the functionality of QMCPACK and NEXUS. Importantly, this release supports and requires Python 3. After this release we plan to remove the array-of-structures build configuration and also the legacy CUDA implementation for GPUs.

Download QMCPACK v3.8.0

Notes

This release includes Quantum Espresso v6.4.1 support, new examples for adding wavefunctions and Jastrow functions, and many updates to the AFQMC code functionality.

Download QMCPACK v3.7.0

Notes

This release includes GPU support for the AFQMC implementation, Quantum Espresso v6.4 support, and in the real-space code makes the structure-of-arrays (SoA) code path the default. A large number of feature refinements, bugfixes, testing improvements and source code cleanup have been performed.

Tutorials and presentations from this workshop are now available on GitHub.

Videos for many of the presentation are uploaded on YouTube.