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

Least Squares Tensor Hypercontraction (LS-THC) for ERIs (Part 1)

Added some comments and addressed initial reviews. @loriab @jturney feel free to take a look

Least Squares Tensor Hypercontraction (LS-THC) for ERIs (Part 1)

Pinging @loriab once again, requesting review

Least Squares Tensor Hypercontraction (LS-THC) for ERIs (Part 1)

@davpoolechem No reason, I would prefer a review from @loriab, but it is not necessary

Least Squares Tensor Hypercontraction (LS-THC) for ERIs (Part 2): Grid Pruning

@loriab @jturney can y'all take a look?

Least Squares Tensor Hypercontraction (LS-THC) for ERIs (Part 2): Grid Pruning

Requesting reviews from @davpoolechem and @loriab

Least Squares Tensor Hypercontraction (LS-THC) for ERIs (Part 2): Grid Pruning

@loriab @jturney PR is ready for merge, after all tests pass!

DLPNO-CCSD(T)

I have the code cleaned up enough to where it is ready for review! Requesting reviews from @loriab and @jturney!

Increase the cutoff of matrix power in x2c

Try the macro `PSI_ZERO` for machine precision (See https://github.com/psi4/psi4/blob/master/psi4/include/psi4/psi4-dec.h#L52)

Adding ZORA

> @andyj10224 To respond to your suggestion about the location of the coefficients: I also don't like all the coefficients there, but they were made to solve this specific problem,...

Adding ZORA

@NathanGillispie Let me know once you add docs, so I can approve this PR! Also make sure to rebase this with the main branch :)