Justin Turney

Remove libint1 and erd integral engines.

1

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

Python module compilation

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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...

Code Improvements

4

## 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 - [...

Cleanup cmake directory

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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...

Test large number of terms contraction

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

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

Better errors

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Working to improve the error reporting that einsums generates.