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Recent Releases of GaPFlow: Gap-averaged flow simulations with Gaussian process regression

GaPFlow: Gap-averaged flow simulations with Gaussian process regression - v1.1.0

What's Changed

  • Fix Some Docstring Typos by @DanWaxman in https://github.com/hannes-holey/GaPFlow/pull/59
  • CI: pin jax version by @hannes-holey in https://github.com/hannes-holey/GaPFlow/pull/61
  • JOSS review ch by @hannes-holey in https://github.com/hannes-holey/GaPFlow/pull/62
  • JOSS review by @hannes-holey in https://github.com/hannes-holey/GaPFlow/pull/60
  • JOSS: editorial suggestions by @hannes-holey in https://github.com/hannes-holey/GaPFlow/pull/65
  • JOSS: fix JAX and tinygp bibtex entries by @hannes-holey in https://github.com/hannes-holey/GaPFlow/pull/66
  • JOSS: fix software urls by @hannes-holey in https://github.com/hannes-holey/GaPFlow/pull/67
  • Fine-tuning of active learning for molecular system by @hannes-holey in https://github.com/hannes-holey/GaPFlow/pull/64

New Contributors

  • @DanWaxman made their first contribution in https://github.com/hannes-holey/GaPFlow/pull/59

Full Changelog: https://github.com/hannes-holey/GaPFlow/compare/v1.0.2...v1.1.0

- Python
Published by hannes-holey 24 days ago

GaPFlow: Gap-averaged flow simulations with Gaussian process regression - v1.0.2

What's Changed

  • Docstrings by @hannes-holey in https://github.com/hannes-holey/GaPFlow/pull/45
  • MAINT: remove wrong sphinx references by @hannes-holey in https://github.com/hannes-holey/GaPFlow/pull/46
  • MAINT: added getrealfield wrapper and slice access for setting .p by @ChristophHuber25 in https://github.com/hannes-holey/GaPFlow/pull/49
  • Switch build system to sckit-build-core by @hannes-holey in https://github.com/hannes-holey/GaPFlow/pull/50
  • MAINT: fix typo in install instructions by @hannes-holey in https://github.com/hannes-holey/GaPFlow/pull/52
  • Simplify multi output GP by @hannes-holey in https://github.com/hannes-holey/GaPFlow/pull/47
  • Windows wheels by @hannes-holey in https://github.com/hannes-holey/GaPFlow/pull/53
  • Fix variance output by @hannes-holey in https://github.com/hannes-holey/GaPFlow/pull/54
  • Temporarily use tinygp fork by @hannes-holey in https://github.com/hannes-holey/GaPFlow/pull/56
  • CI: Upgrade OS runner by @hannes-holey in https://github.com/hannes-holey/GaPFlow/pull/57
  • Deploy with latest tinygp instead of own fork by @hannes-holey in https://github.com/hannes-holey/GaPFlow/pull/58

Full Changelog: https://github.com/hannes-holey/GaPFlow/compare/v1.0.1...v1.0.2

- Python
Published by hannes-holey 4 months ago

GaPFlow: Gap-averaged flow simulations with Gaussian process regression - v1.0.1

What's Changed

  • TST: check if tests run without ffmpeg by @hannes-holey in https://github.com/hannes-holey/GaPFlow/pull/43
  • MAINT: showing an animation is optional (defaults to True) by @hannes-holey in https://github.com/hannes-holey/GaPFlow/pull/44
  • Finalize tutorials, documentation, and paper for JOSS submission by @hannes-holey in https://github.com/hannes-holey/GaPFlow/pull/36

Full Changelog: https://github.com/hannes-holey/GaPFlow/compare/v1.0.0...v1.0.1

- Python
Published by hannes-holey 6 months ago

GaPFlow: Gap-averaged flow simulations with Gaussian process regression - v1.0.0

First release of GaPFlow

This is a rewrite of the former 'Height-averaged Navier-Stokes' (HANS) solver.

Features

  • Solve time-dependent lubrication problems with common constitutive laws (same as HANS)
  • Multiscale simulations with Gaussian process surrogate models as constitutive laws
  • Automatic setup of molecular dynamics simulations using the Python interface of LAMMPS
  • Solve elastohydrodynamic lubrication problems with elastic deformations computed from elastic half space methods using ContactMechanics

- Python
Published by hannes-holey 6 months ago

GaPFlow: Gap-averaged flow simulations with Gaussian process regression - v0.3.2

- Python
Published by hannes-holey 10 months ago