Add dlpno-ccsd(t)-f12/cc-pvdz//wb97m-v/def2-tzvpd to the reference database

Open amarkpayne opened this issue 5 years ago • 0 comments

Full model chemistry is #uHF dlpno-ccsd(t)-f12 cc-pvtz-f12 aug-cc-pvtz/c cc-pvtz-f12-cabs TightSCF tightPNO. In the coming days I will do data validation on this and the other model chemistries being added, so this PR is currently a work in progress.

This should not be merged in before the model chemistry standardization PR.

May 09 '20 00:05 amarkpayne