1 Pull request merged by 1 person

• Resolve compatibility issue with pyscf 2.8

  #306 merged Jan 16, 2025

3 Pull requests opened by 3 people

• Davidson iterations for tddft on GPU

  #305 opened Jan 16, 2025

• map and reduce functions for multi-gpu runtime

  #307 opened Jan 17, 2025

• More bound checks in numint

  #309 opened Jan 17, 2025

2 Issues opened by 2 people

• Overflow/underflow in _lr_eig.py

  #310 opened Jan 18, 2025

• OSError: libcusolver.so: cannot open shared object file: No such file or directory

  #308 opened Jan 17, 2025

4 Unresolved conversations

Sometimes conversations happen on old items that aren’t yet closed. Here is a list of all the Issues and Pull Requests with unresolved conversations.

• What's the best practice to build 3c2e tensors?

  #300 commented on Jan 17, 2025 • 0 new comments

• Compute Hamilton from smiles

  #304 commented on Jan 18, 2025 • 0 new comments

• PBC gaussian density fitting GPU kernels

  #297 commented on Jan 18, 2025 • 0 new comments

• Analytical PCM 2nd derivative qv and nuc term

  #302 commented on Jan 16, 2025 • 0 new comments