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Fix FTorch docs, update README (#52) Docs #35: Commit 598328b pushed by awvwgk
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Add mypy check to CI and skip ASE tests when package missing (#51) Docs #34: Commit ea23f03 pushed by awvwgk
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Update ftorch example for Skala-1.1 (#49) Docs #33: Commit cea9718 pushed by awvwgk
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Skala 1.1 release (#46) Docs #32: Commit 40d8c87 pushed by awvwgk
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Allow setting SCF parameters in ASE calculator (#44) Docs #31: Commit 94bf7e3 pushed by awvwgk
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Update for latest GauXC version (#41) Docs #30: Commit 718d013 pushed by awvwgk
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Add documentation for using GPU4PySCF (#40) Docs #29: Commit 1dafb52 pushed by awvwgk
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Add model card for Skala (#39) Docs #28: Commit e37d525 pushed by awvwgk
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fix: convert Markdown link to RST syntax in installation docs (#38) Docs #27: Commit a4ca835 pushed by awvwgk
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General improvements to GauXC-fortran guide (#36) Docs #26: Commit 6cac17e pushed by awvwgk
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Enhance input parser with basis option (#35) Docs #25: Commit 7ed4598 pushed by awvwgk
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Add API reference for GauXC (#32) Docs #24: Commit 0013132 pushed by awvwgk
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Add example for running Skala directly in Fortran (#29) Docs #23: Commit 70fb887 pushed by awvwgk
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Split testing workflow in two stages (#30) Docs #22: Commit 0ac020c pushed by awvwgk
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Add guide for using GauXC from C and Fortran (#23) Docs #21: Commit b22513d pushed by awvwgk
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Clarify documentation on ASE calculator (#28) Docs #20: Commit 93d6601 pushed by awvwgk
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Add SHA-256 hash pinning for .fun file loading (#27) Docs #19: Commit 8f60ad0 pushed by GiulsLu
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Update README (#26) Docs #18: Commit b0af6c9 pushed by riannevdberg
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Update PyPI workflow to include permissions (#25) Docs #17: Commit 1466fbc pushed by awvwgk
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Update readme for use with GPU (#18) Docs #16: Commit cbc4e77 pushed by DerkKooi
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Update docs on installing Skala (#22) Docs #15: Commit 849fe0f pushed by DerkKooi
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Add documentation to build GauXC (#14) Docs #14: Commit f7fbe4b pushed by awvwgk
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Add GitHub Actions workflow for PyPI publishing (#21) Docs #13: Commit b2a48a3 pushed by awvwgk
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Cleanup repository (#19) Docs #12: Commit a896b07 pushed by awvwgk
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Add instructions for coding agents (#15) Docs #11: Commit e20cdd6 pushed by awvwgk
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