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nwchemgit / nwchem Public

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NWChem_CI

update for r2scan #2289

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update for r2scan

update for r2scan #2289

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Usage Workflow file

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update for r2scan #2289

build (ubuntu-22.04, true, openmpi, MPI-TS, nwdft driver solvation mp2_grad mcscf ccsd rimp2 fcid...

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