NWChem Gradient Interface#14

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jwaldrop107 wants to merge 15 commits intomasterfrom

Commits on Apr 6, 2024

backup
jwaldrop107
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Commits on Apr 8, 2024

Commits on Apr 9, 2024

backup
jwaldrop107
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Commits on Apr 10, 2024

clean around changes
jwaldrop107
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Commits on Apr 18, 2024

mostly changed for PT changes
jwaldrop107
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Commits on Apr 19, 2024

fix gradient input
jwaldrop107
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Commits on Apr 26, 2024

Kazuumi's change to add a module that does the energy AND gradient in a single calculation
kaka-zuumi
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Committing clang-format changes
github-actions[bot]
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Commits on Jun 27, 2024

Merge branch 'master' into grad_mods
ryanmrichard
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