formatting (just to trigger CI with new pymatgen version)

README.md

@@ -8,7 +8,7 @@ atomate is a software for computational materials science that contains pre-buil
 
 If you find atomate useful, please encourage its development by citing the following paper in your research output:
 
-```
+```txt
 Mathew, K., Montoya, J. H., Faghaninia, A., Dwarakanath, S., Aykol,
 M., Tang, H., Chu, I., Smidt, T., Bocklund, B., Horton, M., Dagdelen,
 J., Wood, B., Liu, Z.-K., Neaton, J., Ong, S. P., Persson, K., Jain,

atomate/common/powerups.py

@@ -1,6 +1,7 @@
 """
 This module defines general powerups that can be used for all workflows
 """
+
 from importlib import import_module
 from typing import List
 

atomate/vasp/firetasks/run_calc.py

@@ -1,8 +1,3 @@
-from monty.os.path import zpath
-from monty.serialization import loadfn
-
-from atomate.vasp.config import HALF_KPOINTS_FIRST_RELAX
-
 """
 This module defines tasks that support running vasp in various ways.
 """
@@ -33,12 +28,14 @@
 from custodian.vasp.jobs import VaspJob, VaspNEBJob
 from custodian.vasp.validators import VaspFilesValidator, VasprunXMLValidator
 from fireworks import FiretaskBase, FWAction, explicit_serialize
+from monty.os.path import zpath
+from monty.serialization import loadfn
 from pymatgen.electronic_structure.boltztrap import BoltztrapRunner
 from pymatgen.io.vasp import Incar, Kpoints, Poscar, Potcar
 from pymatgen.io.vasp.sets import get_vasprun_outcar
 
 from atomate.utils.utils import env_chk, get_logger
-from atomate.vasp.config import CUSTODIAN_MAX_ERRORS
+from atomate.vasp.config import CUSTODIAN_MAX_ERRORS, HALF_KPOINTS_FIRST_RELAX
 
 __author__ = "Anubhav Jain <[email protected]>"
 __credits__ = "Shyue Ping Ong <ong.sp>"

tasks.py

@@ -1,5 +1,8 @@
-# Copyright (c) Pymatgen Development Team.
-# Distributed under the terms of the MIT License.
+"""
+Deployment file to facilitate releases.
+Copyright (c) Pymatgen Development Team.
+Distributed under the terms of the MIT License.
+"""
 
 import json
 import os
@@ -11,10 +14,6 @@
 
 from atomate import __version__
 
-"""
-Deployment file to facilitate releases.
-"""
-
 __author__ = "Shyue Ping Ong, Anubhav Jain"
 __email__ = "[email protected]"
 __date__ = "Sep 1, 2014"