Releases · NQCD/NQCModels.jl

11 Feb 10:01

v0.9.1

bc739b2

v0.9.1

NQCModels v0.9.1

This release has been identified as a backport.
Automated changelogs for backports tend to be wildly incorrect.
Therefore, the list of issues and pull requests is hidden.

Assets 2

11 Feb 10:01

github-actions

v0.8.20

6dd9751

v0.8.20

NQCModels v0.8.20

Diff since v0.8.19

This release has been identified as a backport.
Automated changelogs for backports tend to be wildly incorrect.
Therefore, the list of issues and pull requests is hidden.

Assets 2

11 Feb 10:01

github-actions

v0.8.9

50fbba0

v0.8.9

NQCModels v0.8.9

Diff since v0.8.8

This release has been identified as a backport.
Automated changelogs for backports tend to be wildly incorrect.
Therefore, the list of issues and pull requests is hidden.

Assets 2

14 Jul 12:03

github-actions

v1.0.0

265e033

v1.0.0 Latest

Latest

NQCModels v1.0.0

Diff since v0.10.0

Merged pull requests:

⬆️ Version bump (#59) (@Alexsp32)

Contributors

Alexsp32

Assets 2

11 Jul 13:36

github-actions

v0.10.0

cbfa7e0

v0.10.0

NQCModels v0.10.0

Diff since v0.9.0

Merged pull requests:

Made ASE interface aware of FixAtoms constraints (#35) (@Alexsp32)
Draft: Combine multiple ElectronicFrictionProviders (or Models) into a single model. (#39) (@Alexsp32)
Insert of coupling_rescale in wide_band_bath_discretisation.jl (#42) (@reinimaurer1)
ACEregistry note in README (#44) (@reinimaurer1)
Rework ElectronicFrictionProviders with required functionality and clearer role. (#45) (@Alexsp32)
⬆️ Add compat for NQCBase v0.3 (#46) (@Alexsp32)
Update erpenbeck_thoss.jl (#50) (@Alexsp32)
Standardising input types in nqc models (#52) (@Alexsp32)
Update erpenbeck_thoss.jl (#54) (@Louhokseson)
Gap discretisation (#55) (@Louhokseson)
Removed extra semi-colon in ErpenBeckThoss (#56) (@Snowd1n)
⬆️ Fix v0.4 typo (#57) (@Alexsp32)
Added default to couplins_rescale to allow for compatability with current other NQC Packages (#58) (@Snowd1n)

Closed issues:

Make AdiabaticASEModel aware of constraints in ase structures (#29)
Harmonize units of electronic friction matrix returned by friction! calls (#37)
Add specific model types for diagonal and tensorial friction. (#41)
Include information that ACEregistry must be installed for tests (#43)
Merge the gap discretisation into Main branch (#48)
Restructure NQCModels and effectively appropriately reimplement DiabaticFriction (#53)