Commits

Commits on Mar 30, 2025

Better initial guess for smearing (#2728)

hongzhouye
and
sunqm
authored

Commits on Nov 4, 2024

refactor dfmp2 & rpa (#2418)

hongzhouye
and
sunqm
authored

Commits on Aug 29, 2024

Population analysis for KSCF (#2216)

hongzhouye
and
sunqm
committed

Commits on Jun 1, 2024

Fix frozen for FNO (#2217)
hongzhouye
authored

Commits on Apr 13, 2024

Commits on Apr 3, 2024

bug fix for RCCSD(T) with complex orbitals (#2141)
hongzhouye
authored

Commits on Feb 4, 2024

DIIS with damping (#2053)
hongzhouye
authored

Commits on Dec 8, 2023

Bug fix for Pipek Mezey + Stability check using Jacobi sweep (#1990)
hongzhouye
authored

Commits on Oct 10, 2023

Support using DF-CCSD and frozen for FNO-CCSD (#1893)
hongzhouye
authored

Commits on Aug 29, 2023

[Ready for review] Complete implementation of pbc/tdscf (#1793)
hongzhouye
authored

Commits on Jul 4, 2023

Bug fix for PBC DF (#1770)
hongzhouye
authored

Commits on Mar 15, 2023

PBC DF K-build with a smaller overhead (#1550)
hongzhouye
authored

Commits on Oct 2, 2021

Add most recent GTH-HF potential (#1029)

hongzhouye
and
sunqm
authored