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wavefunction91
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GauXC
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Add OrbitalEvaluator and Gaussian cube writer utility
Build and Test - Compiler Zoo
#430:
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Add OrbitalEvaluator and Gaussian cube writer utility
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Add OrbitalEvaluator and Gaussian cube writer utility
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Gau2grid: Ship version 2.0.9 by default
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#425:
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franzpoeschel
48m 12s
franzpoeschel:gau2grid-2.0.9
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Gau2grid: Ship version 2.0.9 by default
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Gau2grid: Ship version 2.0.9 by default
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#423:
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52m 14s
franzpoeschel:gau2grid-2.0.9
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Fix device OneDFT gradient
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Fix MSVC C4996/C4242 warnings in C API
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49m 24s
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Fix Windows build compatibility (MSVC cl.exe and clang-cl)
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Fix Windows build compatibility (MSVC cl.exe and clang-cl)
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Fix CUTLASS local work driver setup
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awvwgk:cutlass
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Fix CUTLASS local work driver setup
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#411:
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1m 57s
DCM-Uni-Paderborn:gauxc-cutlass-build-fixes
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Add implementation for NLC functionals (VV10)
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#410:
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47m 20s
awvwgk:nlc
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Add implementation for NLC functionals (VV10)
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47m 54s
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Add Hirshfeld partitioning to weights generation
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#407:
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37m 27s
awvwgk:hirshfeld
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37m 27s
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Add spin-summed RKS density setting
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47m 27s
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Add spin-summed RKS density setting
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#405:
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48m 39s
DCM-Uni-Paderborn:rks-spin-summed-density-core
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Fix Windows build compatibility (MSVC cl.exe and clang-cl)
Build and Test - Compiler Zoo
#399:
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6m 24s
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Add PySCF pruning schemes
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Add PySCF grid levels to AtomicGridSizeDefault values
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