Jonathon Misiewicz
Jonathon Misiewicz
Latest commit fulfills my IOU to @loriab and @susilehtola about moving V2RDM source used for build purposes to a commit. The newly linked version works with the modifications to the...
This PR includes your work-in-progress implementation of automatic GRAC shifts, which is not ready for review. Please revise the PR to only include the code _that is actually supposed to...
Ping me for review again when you have this passing tests.
While I appreciate that tests are now passing, I still request changes. * Comments that refer to methods that no longer exist need to be removed. * The comment on...
Leave those tests as they are, and create new tests for the fixed option. I also insist that you include a warning about those keyword changes in the documentation for...
https://community.intel.com/t5/Intel-oneAPI-Math-Kernel-Library/Memory-data-race-problems-in-DGETRI/m-p/1313691#M32027 Andy's Intel report is officially listed as a false positive.
Warning of a merge conflict.
We definitely plan to get this into master, but Lori would be the one with reliable time estimates.
I'm slightly confused. So COSX and Direct have different "versions" of incremental Fock build, and this PR has them use the same incremental Fock code?
I can start a review once @andyj10224 fixes merge conflicts.