V0.6.15 - Githubissues

pyscf / gpu4pyscf

A plugin to use Nvidia GPU in PySCF package

GNU General Public License v3.0

117 stars 21 forks source link

V0.6.15 #80

Closed wxj6000 closed 8 months ago

wxj6000 commented 8 months ago

reduce cupy array initialization overhead
timer_debug2 for timing at micro level
optimize 2nd derivative of hcore