GPU4PySCF v0.6.17 release

New Features

• SMD solvent model
• Built-in serial DFTD3 and DFTD4, disable openmp for compatibility
• Unrestricted DFT (w/o density fitting)
• Zero-copy np array

Improvements

• Improve grids generation, vxc integration, AO evaluation of DFT.
• Reduced the initialization overhead in cupy arrays.
• Optimized 2nd derivative of hcore
• timer_debug2 for profiling cuda kernels

Bugfixes

• Fixed a bug in traspose_sum cuda kernel
• Fixed a bug in screen_index

New Contributors

• @t0saki made their first contribution in #79
• @puzhichen made their first contribution in #78

Full Changelog: v0.6.9...v0.6.17