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[init_atomate.py] Python header for typical atomate workflow
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%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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