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gga bug fix...also adding virtual orbital calculation...EJB #1074

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gga bug fix...also adding virtual orbital calculation...EJB

gga bug fix...also adding virtual orbital calculation...EJB #1074

Run time

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Job Run time
build (ubuntu-latest, openmpi)
25m 47s
build (ubuntu-latest, mpich, sudo apt install -y mpich libmpich-dev)
26m 57s
52m 44s