Closed jmmshn closed 9 months ago
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Added a generic calc type for HF calculations. Currently, the calc type checker just checks the setting against some stander Hybrid functional settings. If none match, the run_type checker will move on and categorize the calculation as a
run_type:"PBE"
.This creates a "HFCus" category for custom HF calculations. The most obvious usage case is when users set AEXX to match the band gap of a material.