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Add API reference for GauXC#32

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awvwgk merged 5 commits intomicrosoft:mainfrom
awvwgk:gauxc-docs
Mar 2, 2026
Merged

Add API reference for GauXC#32
awvwgk merged 5 commits intomicrosoft:mainfrom
awvwgk:gauxc-docs

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@awvwgk awvwgk commented Mar 2, 2026

  • Mention CMake options for enabling C and Fortran API
  • Update paths for tarball and reference skala branch
  • Add a detailed reference for the CMake options and move CMake details there, reference during installation guide
  • Add molecule section (C++, C, Fortran, and HDF5 reference)
  • Add basis set section (C++, C, Fortran, HDF5 reference, and shell ordering conventions)
  • Add grid section (C++, C, Fortran, and enums)

Closes #31

@awvwgk awvwgk requested a review from stefabat March 2, 2026 10:57
@awvwgk awvwgk self-assigned this Mar 2, 2026
@awvwgk awvwgk added the documentation Improvements or additions to documentation label Mar 2, 2026
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Everything looks good to me, with the updated link to download gauxc I have no problem enabling the C and FORTRAN support.

@awvwgk awvwgk merged commit 0013132 into microsoft:main Mar 2, 2026
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@awvwgk awvwgk deleted the gauxc-docs branch March 2, 2026 15:28
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How to enable C API

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