Update rVV10 parameters for r2SCAN+rVV10 in MPScanRelaxSet()#4504

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junchichen21 wants to merge 26 commits intomaterialsproject:masterfrom

junchichen21:hotfix/pmg-io-vasp-MPScanRelaxSet

Commits on Sep 28, 2025

-Add the reference for latest rVV10 parameters used for r2SCAN+rVV10
junchichen21
committed

Commits on Oct 7, 2025

Merge branch 'master' into hotfix/pmg-io-vasp-MPScanRelaxSet
shyuep
authored

Commits on Oct 8, 2025

Add function to update INCAR settings in MPScanRelaxSet and MP24RelaxSet for the given XC functional and dispersion correction
junchichen21
committed
Refactor MPScanRelaxSet to include xc_functional and dispersion parameters; streamline vdw handling with _config_updates function.
junchichen21
committed
Update MPScanRelaxSet to clarify xc_functional and dispersion parameters in docstring
junchichen21
committed
Refactor MP24RelaxSet to streamline XC functional and dispersion handling with _config_updates function
junchichen21
committed
Update MPScanRelaxSet docstring and enforce rVV10 (or no) dispersion correction validation
junchichen21
committed
Update warning for unsupported dispersion corrections in _config_updates function
junchichen21
committed
Add validation for xc_functional in MP24RelaxSet to enforce allowed XC functionals
junchichen21
committed
Add tests for disallowed xc_functional in MP24Sets to ensure proper validation
junchichen21
committed
Update uv.lock to add version markers for dependencies based on Python version compatibility
junchichen21
committed
Refactor MPScanRelaxSet tests to use xc_functional parameter and improve dispersion handling
junchichen21
committed
Merge branch 'master' into hotfix/pmg-io-vasp-MPScanRelaxSet
junchichen21
authored

Commits on Oct 10, 2025

Merge branch 'master' into hotfix/pmg-io-vasp-MPScanRelaxSet
junchichen21
authored

Commits on Oct 16, 2025

Commits on Oct 20, 2025

Merge branch 'master' into hotfix/pmg-io-vasp-MPScanRelaxSet
junchichen21
authored

Commits on Nov 7, 2025

Merge branch 'master' into hotfix/pmg-io-vasp-MPScanRelaxSet
shyuep
authored

Commits on Nov 13, 2025

Commits on Nov 14, 2025