I’m new here and maybe my question can seem to be stupid, sorry for that in advance.
I have successfully installed the atomate framework and now am trying to insert all my vasprun.xml files into atomate database for later analysis. So, the task is following:
Input: directory with many subdirs with different vasprun.xml files and corresponding POSCAR/CONTCAR/etc.
Task: insert all data from each vasprun.xml in the directory into atomate database(mongodb as i understood).
What is the best practice for that?
I found VaspToDb task, but it seems to work false or I have used that incorrectly.
So, my code(where paths contains all directorises with vasprun.xml files):
launchpad = LaunchPad.auto_load()
tasks = 
for path in paths:
task = VaspToDb(calc_dir=path)
fw = Firework(tasks)
wf = Workflow([fw], name=“test workflow”)
Then extract data fro database:
atomate_db = VaspCalcDb.from_db_file(PATH_TO_MY_DB_JSON)
But I cannot observe any inserted data.
Could you help me or give any hints?
Thank you in advance!