From 8aad957f64e8fdc5c456af2f2bd7b90b293e57ab Mon Sep 17 00:00:00 2001 From: Janosh Riebesell Date: Thu, 27 Jul 2023 15:12:30 -0700 Subject: [PATCH] pylint --- custodian/vasp/handlers.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/custodian/vasp/handlers.py b/custodian/vasp/handlers.py index fdc3e672..c77bd577 100644 --- a/custodian/vasp/handlers.py +++ b/custodian/vasp/handlers.py @@ -1076,7 +1076,7 @@ def correct(self): if np.max(v.final_structure.lattice.abc) > 50.0 and v.incar.get("AMIN", 0.1) > 0.01: actions.append({"dict": "INCAR", "action": {"_set": {"AMIN": 0.01}}}) - if v.incar.get("ISMEAR", -1) >= 0 or not (50 <= v.incar.get("IALGO", 38) <= 59): + if v.incar.get("ISMEAR", -1) >= 0 or not 50 <= v.incar.get("IALGO", 38) <= 59: if v.incar.get("METAGGA", "--") != "--" and algo != "all": # If meta-GGA, go straight to Algo = All only if ISMEAR is greater or equal 0. # Algo = All is recommended in the VASP manual and some meta-GGAs explicitly @@ -1087,7 +1087,7 @@ def correct(self): # If a hybrid is used, do not set Algo = Fast or VeryFast. Hybrid calculations do not # support these algorithms, but no warning is printed. if v.incar.get("LHFCALC", False): - if v.incar.get("ISMEAR", -1) >= 0 or not (50 <= v.incar.get("IALGO", 38) <= 59): + if v.incar.get("ISMEAR", -1) >= 0 or not 50 <= v.incar.get("IALGO", 38) <= 59: if algo != "all": actions.append({"dict": "INCAR", "action": {"_set": {"ALGO": "All"}}}) # See the VASP manual section on LHFCALC for more information.