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skilledwolf
cpp_hf
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Changelog: the legacy examples are deleted, not moved
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#38:
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Mesh.pair_index and Mesh.extended_transfer_grid (S5)
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One config class per solver method: RDIIS, Linear, CG, Newton
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#36:
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One implementation of the HF potential
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#35:
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One chemical-potential solver; drop anderson and oda SCF methods
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Explicit sectors replace block_sizes; examples move to studies
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Examples follow contimod C20: get_ prefixes dropped
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Examples follow contimod C9: result.hamiltonian and h.matrices
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A complex128 kernel with x64 off raises (H10)
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Continuation is hf.solve(..., coarse=kernel) (H9)
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Contact terms add their Hermitian partner (H8)
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hf.solve results hold NumPy arrays and Python scalars (H7)
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P0=None starts from the non-interacting state; field= biases it (H6)
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kernel.mean_density(P) and kernel.energies(P) (H5)
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Embedded kernels report the standard energy, mu and Fock matrix (H4)
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One solve entry point: hf.solve(..., config=SolverConfig(method=)) (H2)
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tests/test_mesh.py: sort imports, use itertools.pairwise
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Mesh tests move here from contimod with the class
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One kernel on a mesh: hf.Mesh + HartreeFockKernel(mesh, h, V, plane_w…
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SCF: delete commutator DIIS, RDIIS is the default (B2, H3)
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One engine: delete the C++ solver loops, JAX runs every solve
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JAX ffi kernels load only under the jaxlib they were built against
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Merge remote-tracking branch 'origin/release/next' into claude/projec…
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Merge remote-tracking branch 'origin/release/next' into claude/projec…
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JAX Newton: the fixed-point orbital products go through bmm
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