BSSE input MPI abort communication error and XYG3 functional

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Forum Vet

1:54:19 PM PDT - Thu, Aug 13th 2015
This is what you need to do cd $NWCHEM_TOP/src wget http://nwchemgit.github.io/images/Mp2_1electron.patch.gz gzip -d Mp2_1electron.patch.gz patch -p0 < Mp2_1electron.patch cd mp2_grad make cd .. make link