Added standard energy and gradients to results #30
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Contributor
paulsaxe
commented
May 23, 2024
paulsaxe
commented
- Added 'energy' and 'gradients' to optional results to support e.g. Energy Scan
- Fixed crashing bug in description of the Energy substep.
* Added 'energy' and 'gradients' to optional results to support e.g. Energy Scan * Fixed crashing bug in description of the Energy substep.
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