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19 changes: 17 additions & 2 deletions CHANGELOG
Original file line number Diff line number Diff line change
@@ -1,4 +1,19 @@
PySCF-Forge 1.0.3 (2024-01-20)
PySCF-Forge 1.1.0 (2026-02-20)
------------------------------
* New features
- PBC with plane-wave basis functions
- TDDFT-ris (TDDFT with minimal auxiliary basis)
- FOMO-CASCI (Floating Occupation Molecular Orbital CASCI) and its nuclear gradients
- LNO-CCSD for molecules and PBC systems
- Spin-flip TDDFT nuclear gradients
- Spin-flip non-orthogonal configuration interaction
- CSF-based FCI solver
- Linear Nk OCCRI method + ISDF
- DSRG-MRPT2
- Improved TREXIO interface, supporting two-electron integrals


PySCF-Forge 1.0.3 (2025-01-20)
------------------------------
* New features
- MC23 functional for MCPDFT
Expand Down Expand Up @@ -37,6 +52,6 @@ PySCF-Forge 1.0.0 (2024-05-31)
- MC-PDFT and CMS-PDFT dipole moment
- CMS-PDFT transition dipole moment
- MC-PDFT energy decomposition analysis
- LRDF (Long-Range Density Fitting) for energy and analytical nuclear gradients and Hessian
- LRDF (Long-Range Density Fitting) for energy and analytical nuclear gradients and Hessian
- Spin-flip TDA using multi-collinear functionals
- M3SOSCF (Markovian Multiagent Monte-Carlo second order SCF) method
12 changes: 12 additions & 0 deletions NOTICE
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Expand Up @@ -15,3 +15,15 @@ Jiachen Li <lijiachen.duke@gmail.com>
Jincheng Yu <pimetamon@gmail.com>
Peng Bao
Seunghoon Lee (Seoul National University)
Shuhang Li
Dayou Zhang
Mauger Nastasia
Kori Smyser
Helen Saejung Clifford
Kousuke Nakano
Xing Zhang
Ardavan Farahvash
Yu Jin
Junjie Yang
Hong-Zhou Ye
Arshad Mehmood
2 changes: 1 addition & 1 deletion setup.py
Original file line number Diff line number Diff line change
Expand Up @@ -20,7 +20,7 @@
SO_EXTENSIONS = {
}
DEPENDENCIES = ['pyscf', 'numpy!=2.4.*']
VERSION = '1.0.3'
VERSION = '1.1.0'

#######################################################################
# Unless not working, nothing below needs to be changed.
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