Justin Turney

Results 15 issues of Justin Turney

## Description Removes libint1 and erd integral engines from Psi4. ## Todos - [x] libint1 removed - [x] erd removed - [ ] fix fchk writer to not use erd...

cleanup

Our Python abilities are realized in two parts: Boost Python wrapping of C++ code and Python source code for operator overloading. The Boost Python module is compiled in the objdir...

python

## Improvements The following are improvements to Ambit that were brought up during the Tensor discussion at Emory with Psi4 developers: - [ ] Batching blocks/slices to/from disk - [...

There are many features in the our cmake system that we do not use. They were copied over from Psi4. Need to go through and delete files/code we do not...

For example, ``` E = A * B * C * D ```

test

The C++ standard is adding an mdspan feature. We should support it. An experimental implementation of it can be found here https://github.com/kokkos/mdspan

enhancement

Working to improve the error reporting that einsums generates.

Working on new Profiling code. Also realized NONE of the LinearAlgebra unit tests were being compiled and tested. That has been fixed.

Currently documentation is provided for the main trunk branch of Einsums. Which may not be in alignment with the currently released version. I would like to provide a dropdown in...