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nwchemgit / nwchem

NWChem: Open Source High-Performance Computational Chemistry
http://nwchemgit.github.io
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xcinp_fact_noloc bugfix #939

Closed dmejiar closed 5 months ago

dmejiar commented 5 months ago

Corrects a bug where the input deck 

 xc xr2scan cr2scan

leads to no exchange-correlation:

              XC Information
              --------------
               r^2SCAN metaGGA Exchange Functional  0.000

          Convergence Information

(thanks @amalbavera)