pyscf/pyscf: README-based editorial guide

pyscf/pyscf describes itself in the README as "Python module for quantum chemistry". This article keeps to facts that can be checked in the repository. Stars, forks, and promotional badges are signals of attention, not proof of quality. Under "README", the README says: Python-based Simulations of Chemistry Framework -----------------------------------------------. That establishes the project's stated boundary, not a production test.

The README's "Installation" section gives a useful starting point for deciding whether the project fits: Certain modules are maintained as extensions of PySCF, such as dispersion,. If that problem is not yours, popularity is a poor reason to adopt it. Project names, commands, and component names are kept as written so a reader can return to the primary source without guessing at terminology. Another checkable README item is: New features developed in recent years are available in the pyscf-forge package:. It can shape a first test, but it does not replace testing in the intended environment.

The operating model is spread across sections such as "Base PySCF". The source evidence includes: The following paper should be cited in publications utilizing the PySCF program package:. This article does not turn missing architecture, performance, or security details into claims. A real deployment still needs a look at the repository layout, configuration files, and release history.

Start installation from the README's documented entry point. A command that can be checked in the source is: README 没有给出可直接复制的安装命令。 When the README contains no runnable command, this article does not invent one. Open its "Citing PySCF" section and confirm system dependencies, default ports, and first-run initialization before using a public server.