Lori A. Burns

extra inputs and output for psi4

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## Description See #434 for discussion ## Changelog description ## Status - [ ] Code base linted - [ ] Ready to go

pydantic v2 api

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## Description ## Changelog description ## Status - [ ] Code base linted - [ ] Ready to go

gamess memory changes

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## Description This was originally proposed in #401 but there was some trouble https://github.com/MolSSI/QCEngine/pull/401#pullrequestreview-1561856232 so separated out. Taylor reports that the `system__mwords` change needed to run GAMESS on Perlmutter. ##...

nwchem: collect scf dipole

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## Description This probably works, but needs some self-contained tests. Opening PR so I don't lose it. ## Changelog description ## Status - [ ] Code base linted - [...

**Describe the bug** **To Reproduce** 3 test cases fail when pint=0.22. I noticed when solving the devtools/conda-envs/openmm.yaml w/o a python specified, so got py311. An error trace below. ``` qcengine/tests/test_procedures.py::test_geometric_generic[openmm-model5-bench5]...

adding Forte

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Checklist - [x] Title of this PR is meaningful: e.g. "Adding my_nifty_package", not "updated meta.yaml". - [ ] License file is packaged (see [here](https://github.com/conda-forge/staged-recipes/blob/5eddbd7fc9d1502169089da06c3688d9759be978/recipes/example/meta.yaml#L64-L73) for an example). - [ ]...

currently atop #315 . new base lib in ee93781 - [x] build the export tarball. uses either gzip or bzip2 (closes #316 ). largely imitates the libtool tarball -- see...

Currently atop #314 but has also been rebased to master so atop 2.8.1 . New stuff in 85e20ce . - [x] builds and runs the generator/compiler. A counterpart GHA has...

full cmake 1/N: git and ref in configuration.cc

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The steps to full cmake replacing #259 aren't going to be nicely separable, so I don't expect this to run on GHA. (EDIT: immediate error is an errant std::string that...