Refactor ModuleIO::read/write_cube()
#5150
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@mohanchen this PR is ready for review, except precommit cannnot push format changes. |
mohanchen
reviewed
Sep 27, 2024
kirk0830
requested changes
Sep 27, 2024
kirk0830
reviewed
Sep 28, 2024
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This PR refactors partially the cube io functions, separating the trilinear interpolation from the kernel function of read and write cube file. Additionally, the parameters lists are slightly modified, mainly in two aspects, drop the "&" behind "const int" and add const to pointers to array.
There should still be further refactor because there is still not a pure, clean function to do the only one thing that read or write cube file, hope some developer will so this later.
The PR seems to be the prerequisite of DFPT development for outputting Vxc on realspace grid.
mohanchen
approved these changes
Sep 29, 2024
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Move some codes in
ModuleIO::read_cube()andModuleIO::write_cube()to new functionsModuleIO::read_cube_core_match(),ModuleIO::read_cube_core_mismatch()andModuleIO::write_cube_core().Refactor these functions.
For users, there is no change in input or output.