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Pull requests: wavefunction91/GauXC

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Pull requests list

Add capability for cmake to fetch libtorch itself if not found
#173 opened Jan 22, 2026 by kjh-giesbertz Loading…
3 of 5 tasks
[WIP] Basic C API for GauXC
#172 opened Jan 19, 2026 by awvwgk Loading…
15 tasks done
1
@awvwgk
Add C++ API documentation documentation Improvements or additions to documentation
#170 opened Jan 16, 2026 by awvwgk Loading…
5
Add gau2grid as dependency in GauXC config file
#169 opened Jan 14, 2026 by awvwgk Loading…
1
HIP compilation and fixing GGA/MGGA vvars kernels
#135 opened Jul 18, 2024 by ryanstocks00 Loading…
24
Implement NEO-DFT on host
#92 opened Nov 30, 2023 by aodongliu Loading…
23
Add atomic overlap interface + host implementation
#81 opened Oct 25, 2023 by wavefunction91 Loading…
1
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