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@jmmshn
Last active July 24, 2018 21:07
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[init_atomate.py] Python header for typical atomate workflow
%env FW_CONFIG_FILE=/Users/lik/.atomate/config/FW_config.yaml
from pymatgen import Structure
from atomate.vasp.workflows.base.core import get_wf
from fireworks import LaunchPad,fw_config
fw_config.CONFIG_FILE_DIR # you can finetune the configuration for each project using this parameter
from atomate.vasp.powerups import add_modify_incar, add_additional_fields_to_taskdocs, add_priority
from pymongo import MongoClient
import json
from pymatgen import MPRester
lpad = LaunchPad.auto_load()
mpr=MPRester()
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