1 Release published by 1 person

• v1.4.0

  published Apr 8, 2025

5 Pull requests merged by 3 people

• Copy pyscf vv10 gradient grid response over

  #379 merged Apr 10, 2025

• rys_jk_general accumulate J and K matrix in shared memory

  #376 merged Apr 9, 2025

• 1.4.0 release

  #365 merged Apr 8, 2025

• Reduce local memory usage in int3c2e CUDA kernels

  #366 merged Apr 8, 2025

• Various optimization for reducing memory footprint

  #372 merged Apr 7, 2025

3 Pull requests opened by 3 people

• Optimize PBC density fitting at gamma point

  #380 opened Apr 11, 2025

• Unroll ECP gradient

  #381 opened Apr 12, 2025

• Semi-numerical nlc hessian

  #383 opened Apr 12, 2025

3 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.

• feature: TDDFT-ris

  #367 commented on Apr 11, 2025 • 7 new comments

• How to save cube file

  #378 commented on Apr 8, 2025 • 0 new comments

• [WIP] Feat/tddft solvent

  #369 commented on Apr 14, 2025 • 0 new comments