Eduard Valeyev

Don't see an issue with this.

Not sure what you are asking ... pass them as additional params to contract? we don't have Tensor expressions (that's a big chunk of work ... e.g. see Eigen or...

I have to think about TensorExpressions ... at some point there is no way to avoid DAGs if we want to be expressive and/or concurrent. The big question is how...

@wavefunction91 in general one can expect 1-RDM in AO basis (direct- or real-space) to be available in user code already (seemingly true for PySCF and for e.g. my code). So...

Should be easy to use the existing code to produce reference answer by using DFBS AO basis + a unit (zero exponent) AO as the OBS AO basis and making...

> @evaleev That seems reasonable. I'm more curious how much this will save in practice. I think there's definitely an argument on the GPU side as it will decrease memory...

Could you provide more details? (Version, how compiler was configured, whether library was exported and then built separately, or whether it was built within the compiler built, etc) Specially it...

`Apply Style` seems to fail with PRs from forks: https://github.com/LLNL/Umpire/actions/runs/10146645731/job/28055190803?pr=900#step:2:589 possible solution (and relevant issue in any case): https://github.com/actions/checkout/issues/455#issuecomment-792228083 cc: @davidbeckingsale

@devreal the issues I mentioned to you was under different, namely when using `FetchContent` (FC) module of CMake to build Umpire, which requires "namespacing" _all_ CMake targets, not just the...

fwiw: seems that the remaining python module build failures are due to https://github.com/pypa/setuptools/issues/4519 ...