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Pull requests: HPQC-LABS/pyscf

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Add ddm_tol as convergence threshold for density matrix
#4 opened Sep 24, 2024 by JaafarMehrez Loading… updated Jan 26, 2025
Add scripts to read go database
#1 opened Apr 10, 2023 by vandan-revanur Loading… updated Jul 8, 2023
Added aug-cc-pcvxz files to gto/basis
#2 opened May 18, 2023 by xisen-w Loading… updated Jun 28, 2023
Changed sym_pos=True to assume_a='pos' to solve compatibility issues …
#3 opened Jun 28, 2023 by sichaox Loading… updated Jun 28, 2023
ProTip! Updated in the last three days: updated:>2025-03-24.