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misc small changes
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matthewkuner committed Nov 8, 2023
1 parent 21467ba commit 4ba304b
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Showing 2 changed files with 3 additions and 1 deletion.
1 change: 0 additions & 1 deletion pymatgen/io/validation/validation.py
Original file line number Diff line number Diff line change
Expand Up @@ -157,7 +157,6 @@ def from_task_doc(
"NO MATCHING MP INPUT SET --> no matching MP input set was found. If you believe this to be a mistake, please create a GitHub issue."
)
valid_input_set = None

print(f"Error while finding MP input set: {e}.")

if parameters == {} or parameters is None:
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3 changes: 3 additions & 0 deletions tests/test_validation.py
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Expand Up @@ -6,6 +6,9 @@
from pymatgen.core.structure import Structure


# TODO: add in tests for POTCAR validation
# TODO: add in tests for POTCAR validation
# TODO: add in tests for POTCAR validation
### TODO: add tests for many other MP input sets (e.g. MPNSCFSet, MPNMRSet, MPScanRelaxSet, Hybrid sets, etc.)
### TODO: add check for an MP input set that uses an IBRION other than [-1, 1, 2]
### TODO: add in energy-based EDIFFG check
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