v.1.2.0

Changes

• Jobflow is now fully supported!

What's Changed

• Add a workflow engine-safe way of specifying copy_files by @vineetbansal in #3101
• Bump parsl[monitoring] from 2026.1.12 to 2026.1.19 by @dependabot[bot] in #3119
• Bump prefect[dask] from 3.6.11 to 3.6.13 by @dependabot[bot] in #3120
• Bump emmet-core from 0.86.2 to 0.86.3 by @dependabot[bot] in #3124
• Bump seekpath from 2.2.0 to 2.2.1 by @dependabot[bot] in #3125
• Bump jobflow from 0.2.1 to 0.3.0 by @dependabot[bot] in #3126
• Bump prefect[dask] from 3.6.13 to 3.6.15 by @dependabot[bot] in #3131
• Bump parsl[monitoring] from 2026.1.19 to 2026.1.26 by @dependabot[bot] in #3128
• Bump psutil from 7.2.1 to 7.2.2 by @dependabot[bot] in #3130
• Bump dask[distributed] from 2026.1.1 to 2026.1.2 by @dependabot[bot] in #3129
• pre-commit autoupdate by @pre-commit-ci[bot] in #3123
• Delegating quacc @flow to jobflow @flow by @vineetbansal in #3016

Full Changelog: v1.1.6...v1.2.0

v1.1.6

Some minor updates to the TochSim schemas and supported properties.

What's Changed

• Torchsim calc max force by @orionarcher in #3114
• Bump prefect[dask] from 3.6.10 to 3.6.11 by @dependabot[bot] in #3115
• Bump seekpath from 2.1.0 to 2.2.0 by @dependabot[bot] in #3117
• add in missed schema update by @orionarcher in #3118
• Bump dask[distributed] from 2025.12.0 to 2026.1.1 by @dependabot[bot] in #3116

Full Changelog: v1.1.5...v1.1.6

v1.1.5

1.1.5

Added

• Improved TorchSim recipes and added tutorials

Fixed

• Fixed copy_files so it ignores Custodian error folders

What's Changed

• Bump prefect[dask] from 3.6.9 to 3.6.10 by @dependabot[bot] in #3106
• Bump parsl[monitoring] from 2026.1.5 to 2026.1.12 by @dependabot[bot] in #3107
• Correct call params to write_espresso_ph (changed in ase on 01/13/26) by @vineetbansal in #3111
• Automatically calculate energy, forces, stress in TorchSim + add tutorial by @orionarcher in #3110
• Move error folder check to the correct location by @Andrew-S-Rosen in #3112

New Contributors

• @vineetbansal made their first contribution in #3111

Full Changelog: v1.1.4...v1.1.5

v1.1.4

Update CHANGELOG for version 1.1.4 changes

Updated changelog for version 1.1.4 with changes to VASP INCAR copilot and default arguments in matpes_static_job.

v1.1.3

[1.1.3]

Fixed

• Fixed file I/O when Jobflow is used with run_locally(create_folders=True)

v1.1.2

Fixed

• Wrapped adsorbate positions so it appears within the unit cell when using make_adsorbate_structures

v1.1.1

[1.1.1]

Added

• Added logging to the Vasp calculator to report which pseudopotentials are used as well as the VASP command

v1.1.0

Update CHANGELOG for version 1.1.0

v1.0.9

[1.0.9]

Changed

• Made ASE 3.27.0 the minimum allowed version
• Ensured the default pseudopotentials for the VASP presets are set in accordance to the instructions in ASE 3.27.0

v1.0.8

Added

• TorchSim recipes

Changed

• Minimum version of Custodian changes to 2025.12.14

What's Changed

• Bump fairchem-core from 2.12.0 to 2.13.0 by @dependabot[bot] in #3051
• Bump phonopy from 2.44.0 to 2.45.1 by @dependabot[bot] in #3050
• Bump emmet-core from 0.86.1 to 0.86.2 by @dependabot[bot] in #3052
• Bump parsl[monitoring] from 2025.12.1 to 2025.12.8 by @dependabot[bot] in #3053
• Fix access to site_properties in test function by @Andrew-S-Rosen in #3056
• Torchsim support in Quacc by @orionarcher in #3005
• Trigger pre-commit CI by @Andrew-S-Rosen in #3058
• Update pyproject.toml by @Andrew-S-Rosen in #3059

New Contributors

• @orionarcher made their first contribution in #3005

Full Changelog: v1.0.7...v1.0.8