From 8553de0944da5450bf45998db50f9f204143792f Mon Sep 17 00:00:00 2001
From: Janosh Riebesell <janosh.riebesell@gmail.com>
Date: Thu, 12 Dec 2024 13:33:35 -0500
Subject: [PATCH 1/3] NonConvergingErrorHandler add doc string comment
 suggesting setting AMIX/BMIX doesn't seem to help much

---
 src/custodian/vasp/handlers.py | 3 +++
 src/custodian/vasp/utils.py    | 1 +
 2 files changed, 4 insertions(+)

diff --git a/src/custodian/vasp/handlers.py b/src/custodian/vasp/handlers.py
index 2b152176..7ebfa857 100644
--- a/src/custodian/vasp/handlers.py
+++ b/src/custodian/vasp/handlers.py
@@ -1560,6 +1560,9 @@ class NonConvergingErrorHandler(ErrorHandler):
     Check if a run is hitting the maximum number of electronic steps at the
     last nionic_steps ionic steps (default=10). If so, change ALGO using a
     multi-step ladder scheme or kill the job.
+
+    In some cases (ALGO=All or ALGO=Normal and ISMEAR < 0), this handler also changes AMIX
+    and BMIX but unsure if this helps much. Some anecdotal evidence suggests it doesn't.
     """
 
     is_monitor = True
diff --git a/src/custodian/vasp/utils.py b/src/custodian/vasp/utils.py
index 5f937496..1dfe3de5 100644
--- a/src/custodian/vasp/utils.py
+++ b/src/custodian/vasp/utils.py
@@ -18,6 +18,7 @@ def _estimate_num_k_points_from_kspacing(structure: Structure, kspacing: float)
     Inputs:
         structure (Structure): structure used in the calculation
         kspacing (float): KSPACING used in the calculation
+
     Returns:
         tuple[int,int,int] : the number of estimated k-points on each axis.
 

From c12d389344f863cdf83c6d123e6676f714a7c057 Mon Sep 17 00:00:00 2001
From: Janosh Riebesell <janosh.riebesell@gmail.com>
Date: Thu, 12 Dec 2024 13:33:45 -0500
Subject: [PATCH 2/3] remove unused commit hooks

---
 .pre-commit-config.yaml | 31 +++++++++----------------------
 1 file changed, 9 insertions(+), 22 deletions(-)

diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml
index 18b046c8..1a80a172 100644
--- a/.pre-commit-config.yaml
+++ b/.pre-commit-config.yaml
@@ -2,16 +2,16 @@ exclude: ^(docs|tests/files|tasks.py)
 
 ci:
   autoupdate_schedule: monthly
-  skip: [ mypy, pyright ]
+  skip: [mypy, pyright]
   autofix_commit_msg: pre-commit auto-fixes
   autoupdate_commit_msg: pre-commit autoupdate
 
 repos:
   - repo: https://github.com/astral-sh/ruff-pre-commit
-    rev: v0.7.2
+    rev: v0.8.3
     hooks:
       - id: ruff
-        args: [ --fix, --unsafe-fixes ]
+        args: [--fix, --unsafe-fixes]
       - id: ruff-format
 
   - repo: https://github.com/pre-commit/pre-commit-hooks
@@ -30,16 +30,9 @@ repos:
     rev: v2.3.0
     hooks:
       - id: codespell
-        stages: [ commit-msg ]
-        exclude_types: [ html ]
-        additional_dependencies: [ tomli ] # needed to read pyproject.toml below py3.11
-
-  - repo: https://github.com/MarcoGorelli/cython-lint
-    rev: v0.16.2
-    hooks:
-      - id: cython-lint
-        args: [ --no-pycodestyle ]
-      - id: double-quote-cython-strings
+        stages: [commit-msg]
+        exclude_types: [html]
+        additional_dependencies: [tomli] # needed to read pyproject.toml below py3.11
 
   - repo: https://github.com/adamchainz/blacken-docs
     rev: 1.19.1
@@ -47,7 +40,7 @@ repos:
       - id: blacken-docs
 
   - repo: https://github.com/igorshubovych/markdownlint-cli
-    rev: v0.42.0
+    rev: v0.43.0
     hooks:
       - id: markdownlint
         # MD013: line too long
@@ -55,15 +48,9 @@ repos:
         # MD033: no inline HTML
         # MD041: first line in a file should be a top-level heading
         # MD025: single title
-        args: [ --disable, MD013, MD024, MD025, MD033, MD041, "--" ]
-
-  - repo: https://github.com/kynan/nbstripout
-    rev: 0.8.0
-    hooks:
-      - id: nbstripout
-        args: [ --drop-empty-cells, --keep-output ]
+        args: [--disable, MD013, MD024, MD025, MD033, MD041, "--"]
 
   - repo: https://github.com/RobertCraigie/pyright-python
-    rev: v1.1.387
+    rev: v1.1.390
     hooks:
       - id: pyright

From 2b6de367c50a2695c6d80906f67110b743086579 Mon Sep 17 00:00:00 2001
From: Janosh Riebesell <janosh.riebesell@gmail.com>
Date: Thu, 12 Dec 2024 13:34:29 -0500
Subject: [PATCH 3/3] use logger.exception over logger.warning in
 VaspJob.terminate to get whole stacktrace

helps a lot with debugging
---
 src/custodian/vasp/jobs.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/custodian/vasp/jobs.py b/src/custodian/vasp/jobs.py
index a94957c2..5485f8a4 100644
--- a/src/custodian/vasp/jobs.py
+++ b/src/custodian/vasp/jobs.py
@@ -725,7 +725,7 @@ def terminate(self, directory="./") -> None:
                         proc.kill()
                         return
             except (psutil.NoSuchProcess, psutil.AccessDenied) as exc:
-                logger.warning(f"Exception {exc} encountered while killing VASP.")
+                logger.exception(f"Exception {exc} encountered while killing VASP.")
                 continue
 
         logger.warning(