Andy Jiang

icon company University of Georgia icon location Athens, GA icon location PhD student at @CCQC at University of Georgia, Former undergraduate student with @cdsgroup at Georgia Tech

Results 35 comments of Andy Jiang

Adding ZORA

@loriab I think this PR is pretty much ready! Can you take a final look?

Out of memory with DLPNO-CCSD(T)

@peastman Can you try setting `symmetry c1` in the molecular input string (like in the test)? I'd also like to know what operating system you are running on

Out of memory with DLPNO-CCSD(T)

> Here is a bigger molecule with 41 atoms. This one segfaults. > > ``` > memory 32 GB > > molecule mol { > 0 1 > C -6.490999517882142...

Out of memory with DLPNO-CCSD(T)

> I'm trying to test out the implementation of DLPNO-CCSD(T) in the main branch (revision [6053f9a](https://github.com/psi4/psi4/commit/6053f9aefa46e4d720669a4b0a3ee96a34144ee9) checked out today). I find that no matter how much memory I try to...

Out of memory with DLPNO-CCSD(T)

> > Here is a bigger molecule with 41 atoms. This one segfaults. > > ``` > > memory 32 GB > > > > molecule mol { > >...