This repository was archived by the owner on Apr 24, 2024. It is now read-only.
This repository was archived by the owner on Apr 24, 2024. It is now read-only.
Option for naming the property in properties_to_tensormap #54
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Option for naming the property in
properties_to_tensormapequisolve/src/equisolve/utils/convert.py
Line 53 in 5fdd26b
Then in
ase_to_tensormapit would be called with the name "energy"equisolve/src/equisolve/utils/convert.py
Line 18 in 5fdd26b