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docs: refine the READMEs and docs front page - #95
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…al_det, workflow links Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
…#389 Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
…ings pick for you Every README from the top level down. Commands now run on several ranks or one rank per GPU wherever the step parallelizes; single-process ones are left where the step is serial. Long explanations of upstream internals are cut to what a user acts on, and repeated warnings appear once. The top-level README says the bindings choose the code path themselves -- the UHF build from the FCIDUMP, the CPU evaluator after an offload solve -- and that a feature a device does not support raises an error naming the device to use. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
…HF from INSTALL Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
The docs front page gains "What it does" and the reason for the bindings, the README's feature-by-backend table in place of the device-only one, why the SQD loop is TPB only (Qiskit/qiskit-sqd#389), and the pinned-upstream caveat for the examples. Its separate TPB-or-GDB section folds into "What it does". The sbd API page's intro now names CAOP and says what device= does and that an unsupported device raises an error naming the ones that do. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
…extrapolate.py It opened with the TPB/GDB evaluator only and reached CAOP and extrapolate.py late or in passing. It now starts with the two tools and a table of which upstream evaluator each kind of state uses and with which methods, then one section per task: check a molecular state, check a CAOP state, estimate the exact energy from a series, compare two ways of growing a subspace, and run it in the same job. How the estimate works and its settings follow. The other READMEs' links follow the renamed sections. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
…st of the way Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
It compared two solvers' expansion schemes rather than showing the analysis, and its own notes said none of its states had converged. Its one lesson for the analysis, comparing subspaces at matched dimension by variance and E + PT2, is now a sentence under the series section. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
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A pass over every README, from the top level down, and the docs front page, so that each reads as how to use the package rather than as a record of upstream's internals.
Why use the bindings. The README gains a short section on what the bindings give over upstream's C++ apps: one install for every feature, the backend and the unrestricted and complex builds chosen per call rather than at compile time, Python objects in and out, and an error naming the right device when one does not support a feature. The docs front page gains the same, with the README's feature list and its feature-by-backend table, and the
sbdAPI page's intro now covers CAOP anddevice=.Commands use the hardware. Examples launch on several ranks, or one rank per GPU, wherever the step parallelizes: TPB on a rank grid or across GPUs, CAOP on GPUs, GDB sharded. Commands stay single-process only where the step is serial.
Trimmed. Long explanations of upstream internals are cut to what a user acts on, and repeated warnings appear once. The GDB README's command blocks list one example per feature and point to the section that explains each option.
The analysis README is organized by use case: checking a molecular state, checking a CAOP state, and estimating the exact energy from a series with
extrapolate.py, which it previously mentioned only in passing. It opens with which upstream evaluator each kind of state uses,gdb-stat-evaluatororcaop-stat-evaluator. The TPB-versus-GDB growth comparison is dropped: it compared solvers rather than showing the analysis.Also:
gputoo, and that the variance analysis takes restricted and UHF FCIDUMPs alike.--initial_detexample runs as written.SBD_BUILD_UHFis removed from INSTALL.md, the release notes andsetup.py, the one change outside the docs: a three-line warning for a variable no release had, so the next release neither introduces nor removes it.Checked:
-W.🤖 Generated with Claude Code