[WIP] Make SimulationCell lattice in full precision.#5350
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ye-luo wants to merge 8 commits intoQMCPACK:developfrom
Closed
[WIP] Make SimulationCell lattice in full precision.#5350ye-luo wants to merge 8 commits intoQMCPACK:developfrom
ye-luo wants to merge 8 commits intoQMCPACK:developfrom
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In order to make the actual changes review friendly. I'm thinking of deprecating the |
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This PR combines #5351 and #5352 and the last commit contains one-line change to enforce full precision. @PDoakORNL I don't plan to get this PR merged because it fails ionion tests and I feel it better to leave that one line precision change to you as I saw you already worked on updating reference values #5327. |
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Proposed changes
This is a prototype not ready for merge. Unit tests were not fixed. QMCPACK can compile and run.Consider there is little performance impact if we keep our use of CrystalLattice in full precision, we can just make the lattice of SimulationCell in full precision.
What type(s) of changes does this code introduce?
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Does this introduce a breaking change?
What systems has this change been tested on?
Checklist
Update the following with a yes where the items apply. If you're unsure about any of them, don't hesitate to ask. This is
simply a reminder of what we are going to look for before merging your code.