Skip to content

v0.13.3

Latest

Choose a tag to compare

@njzjz njzjz released this 12 May 17:41
66232e5

What's Changed

  • build(deps): bump actions/checkout from 4 to 5 by @dependabot[bot] in #1792
  • docs: add comprehensive GitHub Copilot instructions with corrected installation timing by @Copilot in #1800
  • fix: Add relative force deviation support to external LAMMPS templates by @Copilot in #1801
  • feat: add D3 dispersion support for LAMMPS by @Copilot in #1806
  • fix: remove VASP pseudopotential linking from CP2K FP workflow by @Copilot in #1802
  • feat: use MultiSystems for post_fp_vasp to handle mixed vacancy structures by @Copilot in #1807
  • fix: resolve pymatgen version detection in dpgen -h command by @Copilot in #1808
  • fix(autotest): fix forward_common_files for custom in_lammps paths by @Copilot in #1798
  • docs: add comprehensive documentation for supported software by @Copilot in #1794
  • build(deps): bump actions/setup-python from 5 to 6 by @dependabot[bot] in #1812
  • docs: move .github/copilot-instructions.md to AGENTS.md by @Copilot in #1818
  • docs: improve fp_skip_bad_box documentation with detailed criteria explanation by @Copilot in #1820
  • Add support for the new fp_style "cpx" (Quantum Espresso Car-Parrinello cp.x) by @Constant206462 in #1821
  • feat: add cp2k support for skipping bad box by @SchrodingersCattt in #1830
  • build(deps): bump actions/checkout from 5 to 6 by @dependabot[bot] in #1838
  • docs: update DeepModeling domain to deepmodeling.com by @njzjz-bot in #1848
  • docs: remove deprecated model_devi_e_trust_lo/hi from dpgen run examples by @Copilot in #1853
  • ci: use OIDC for codecov-action by @njzjz-bot in #1856
  • chore: update branch references from devel to master by @njzjz-bot in #1863
  • chore: add mdformat for markdown by @njzjz-bot in #1866
  • build(deps): bump codecov/codecov-action from 5 to 6 by @dependabot[bot] in #1873
  • build(pyproject): adopt PEP 639 license metadata by @njzjz-bot in #1874
  • docs(init): fix spelling typos in init-reaction guide by @njzjz-bot in #1875
  • fix(dpdata): use public format APIs by @njzjz-bot in #1880
  • chore(skills): import DP-GEN simplify agent skill by @njzjz-bot in #1879

New Contributors

Full Changelog: v0.13.2...v0.13.3