Skip to content

v1.5.1

Choose a tag to compare

View all tags
@sunqm sunqm released this 17 Dec 23:24
· 244 commits to master since this release
v1.5.1
59b80aa
This commit was created on GitHub.com and signed with GitHub’s verified signature.
GPG key ID: B5690EEEBB952194
Verified
Learn about vigilant mode.
  • New Features
    • RIS-approximated Z-vector solver for TD-RKS gradients and NACs
  • Improvements
    • Save cycle counts for SCF methods.
    • Reduce memory usage when initializing JK builder
  • Fixes
    • The ECP bug on Blackwell cards is fixed in CUDA 13.1
    • Illegal memory addresses in 3c2e generator caused by integer overflow
    • PCM hessian bug caused by atoms without PCM grids
    • Fix UHF.eigh bug caused by overwriting overlap matrix
Assets 2
Loading