Add guide for using GauXC from C and Fortran#23
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awvwgk merged 11 commits intomicrosoft:mainfrom Feb 23, 2026
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Some questions on the GauXC in C instructions
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Good point, now this all handled in GauXC since wavefunction91/GauXC#169 was merged. |
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Since GauXC has MPI support I would like to highlight it as well. Also, it does impact the API for the runtime environment so it is something that can't be easily ignored. We are testing all examples with and without MPI to make sure they actually work correctly. |
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I follow the naming used in GauXC: |
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See wavefunction91/GauXC#172
See wavefunction91/GauXC#174
Preview at https://awvwgk.github.io/skala/gauxc/c-library.html and https://awvwgk.github.io/skala/gauxc/fortran-library.html