Add ability to save individual energy components with energy decomposition#1131

Merged

drroe merged 15 commits intoAmber-MD:masterfrom

drroe:enedecomp.components

Feb 24, 2025

Commits on Feb 21, 2025

Start saving energy components
drroe
committed

Commits on Feb 24, 2025

Add flag for saving energy components
Daniel R. Roe
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Do component accumulation. Add keyword
Daniel R. Roe
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Add -p flag so no error if directory exists
Daniel R. Roe
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Make directory creation silent
Daniel R. Roe
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Add output sets for energy components
Daniel R. Roe
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Add MPI reduction for energy components
Daniel R. Roe
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Add basic components test
Daniel R. Roe
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Should be += to avoid blowing away other components
Daniel R. Roe
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Add tz2 components test
Daniel R. Roe
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Add entry for new keyword 'savecomponents' for 'enedecomp'
Daniel R. Roe
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Update manual
Daniel R. Roe
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Update manual
Daniel R. Roe
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Update checksum
Daniel R. Roe
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6.29.10. Revision bump for adding 'savecomponents' keyword to 'enedecomp'
Daniel R. Roe
committed