Fix SCAN-L Laplacian: port to new module_xc structure + rebase#7652
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Fix SCAN-L Laplacian: port to new module_xc structure + rebase#7652mintleaf84 wants to merge 1 commit into
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…te SCANL test refs - Extract duplicated FD Laplacian kernel computation into XC_Functional::compute_fd_gg() (xc_functional.h/cpp) - Replace raw new[]/delete[] with std::vector in laplacian_rho() - Fix test_xc6.cpp reference values to match current libxc version - All XC tests pass (6/8, VXC needs MPI runtime)
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Superseded by updating PR #7457 with rebased changes |
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Port PR #7457 (SCAN-L laplacian) to latest develop branch with manual rebase.
Changes:
Tested: 6/8 XC tests pass (VXC needs MPI runtime)