From 37ac7a49dceddc4ed9c440b7741872207e68a9e2 Mon Sep 17 00:00:00 2001 From: Qiming Sun Date: Wed, 25 Sep 2024 21:11:19 -0700 Subject: [PATCH] Update Changelog --- CHANGELOG | 5 ++++- README.md | 2 +- 2 files changed, 5 insertions(+), 2 deletions(-) diff --git a/CHANGELOG b/CHANGELOG index 72ad0db9f8..2a06cc3fa2 100644 --- a/CHANGELOG +++ b/CHANGELOG @@ -1,4 +1,4 @@ -PySCF 2.7.0 (2024-09-16) +PySCF 2.7.0 (2024-09-23) ------------------------ * Added - Superposition of Atomic Potentials (SAP) initial guess for SCF methods. @@ -9,6 +9,7 @@ PySCF 2.7.0 (2024-09-16) - Supports for fractional coordinates in Cell. - Population analysis for KSCF. - A, B matrices for k-point TDRKS. + - AutoAux scheme for generating auxiliary basis sets. * Improved - Automatic cleanup for HDF5 temporary files. - Saves CI coefficients for SA-CASSCF to chkfile. @@ -31,6 +32,8 @@ PySCF 2.7.0 (2024-09-16) - Wrong transition dipoles of triplet TDDFT states. - GHF-X2C dipole moment. - FCI symmetry validation code for cylindrical symmetry. + - Missing complex conjugation for complex orbitals in SymAdaptedGHF. + - Custom UHF objects using the Hamiltonian in FCIDUMP. PySCF 2.6.2 (2024-06-19) diff --git a/README.md b/README.md index 2c9c8e28a1..48a95d0d73 100644 --- a/README.md +++ b/README.md @@ -7,7 +7,7 @@ Python-based Simulations of Chemistry Framework [![Build Status](https://github.com/pyscf/pyscf/workflows/CI/badge.svg)](https://github.com/pyscf/pyscf/actions?query=workflow%3ACI) [![codecov](https://codecov.io/gh/pyscf/pyscf/branch/master/graph/badge.svg)](https://codecov.io/gh/pyscf/pyscf) -2024-09-16 +2024-09-23 * [Stable release 2.7.0](https://github.com/pyscf/pyscf/releases/tag/v2.7.0) * [Changelog](../master/CHANGELOG)