diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index b3abffa..f3c8008 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -2,7 +2,7 @@ repos: - repo: https://github.com/pre-commit/pre-commit-hooks - rev: v4.1.0 + rev: v5.0.0 hooks: - id: check-json - id: check-yaml @@ -15,12 +15,12 @@ repos: exclude: *exclude_pre_commit_hooks - repo: https://github.com/kynan/nbstripout - rev: 0.6.1 + rev: 0.8.1 hooks: - id: nbstripout - repo: https://github.com/astral-sh/ruff-pre-commit - rev: v0.4.1 + rev: v0.8.2 hooks: - id: ruff-format exclude: &exclude_ruff > diff --git a/src/aiida_sssp_workflow/protocol/convergence.yml b/src/aiida_sssp_workflow/protocol/convergence.yml index af8af6d..bd1c66e 100644 --- a/src/aiida_sssp_workflow/protocol/convergence.yml +++ b/src/aiida_sssp_workflow/protocol/convergence.yml @@ -40,7 +40,7 @@ fine: base: # base parameters is inherit by other process occupations: smearing - degauss: 0.0125 + degauss: 0.0125 smearing: fd conv_thr_per_atom: 1.0e-9 kpoints_distance: 0.1 # fine protocol of qe -> gabriel diff --git a/src/aiida_sssp_workflow/protocol/criteria.yml b/src/aiida_sssp_workflow/protocol/criteria.yml index 52cb925..769c8ac 100644 --- a/src/aiida_sssp_workflow/protocol/criteria.yml +++ b/src/aiida_sssp_workflow/protocol/criteria.yml @@ -78,7 +78,7 @@ efficiency: eos: mode: 0 - bounds: [0.0, 0.2] + bounds: [0.0, 0.2] eps: 1.0e-3 phonon_frequencies: