QCEngine Support Overhaul #19
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@jlheflin and @fcuantico I tagged you as reviewers primarily so you could follow the PR process. You're also welcome to leave feedback on the code if you want. |
jwaldrop107
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Sep 27, 2024
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This is r2g now. |
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(Disclaimer I make no guarantees that the MPI forwarding to QCEngine actually runs in parallel) |
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🚀 [bumpr] Bumped! New version:v1.0.7 Changes:v1.0.6...v1.0.7 |
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Is this pull request associated with an issue(s)?
This PR is an alternative to #14.
Description
This PR attempts to address the same issues as #14; however, it does so with a reduced reliance
on module-specific inputs (at least user-facing module-specific inputs). Specific changes:
TODOs