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Update Changelog
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sunqm committed Sep 26, 2024
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5 changes: 4 additions & 1 deletion CHANGELOG
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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.
Expand All @@ -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.
Expand All @@ -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)
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2 changes: 1 addition & 1 deletion README.md
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Expand Up @@ -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)
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