From c04074c9f97e602fe2e8301d44e327b1dda0820f Mon Sep 17 00:00:00 2001 From: Shyam D Date: Thu, 1 Jul 2021 10:57:10 -0700 Subject: [PATCH] ensure important fields present in projection --- emmet-builders/emmet/builders/vasp/materials.py | 8 ++++++-- 1 file changed, 6 insertions(+), 2 deletions(-) diff --git a/emmet-builders/emmet/builders/vasp/materials.py b/emmet-builders/emmet/builders/vasp/materials.py index 22e5607f21..e9d95a347d 100644 --- a/emmet-builders/emmet/builders/vasp/materials.py +++ b/emmet-builders/emmet/builders/vasp/materials.py @@ -176,14 +176,18 @@ def get_items(self) -> Iterator[List[Dict]]: "task_id", "formula_pretty", "output.energy_per_atom", - "output.energy", "output.structure", + "input.parameters", + # needed for run_type and task_type "calcs_reversed.input.parameters", "calcs_reversed.input.incar", + "orig_inputs", + # needed for entry from task_doc + "output.energy", "input.is_hubbard", "input.hubbards", "input.potcar_spec", - "orig_inputs", + # misc info for materials doc "input.structure", "tags", ]