Skip to content

Commit

Permalink
only use structure opt for mpid
Browse files Browse the repository at this point in the history
  • Loading branch information
shyamd committed Jun 14, 2021
1 parent 6d6425f commit 93f2463
Showing 1 changed file with 3 additions and 4 deletions.
7 changes: 3 additions & 4 deletions emmet-core/emmet/core/vasp/material.py
Original file line number Diff line number Diff line change
Expand Up @@ -55,10 +55,6 @@ def from_tasks(
if len(task_group) == 0:
raise Exception("Must have more than one task in the group.")

# Material ID
possible_mat_ids = [task.task_id for task in task_group]
material_id = min(possible_mat_ids)

# Metadata
last_updated = max(task.last_updated for task in task_group)
created_at = min(task.completed_at for task in task_group)
Expand All @@ -82,6 +78,9 @@ def from_tasks(
else structure_optimizations
)

# Material ID
possible_mat_ids = [task.task_id for task in structure_optimizations]
material_id = min(possible_mat_ids)
def _structure_eval(task: TaskDocument):
"""
Helper function to order structures optimziation and statics calcs by
Expand Down

0 comments on commit 93f2463

Please sign in to comment.