v1.3.2 (2025-03-10)
-------------------
* Improvements
  - Dump xc info and grids into to log file
  - Optimize 4-center integral evalulation CUDA kernels using warp divergent algorithm
  - Support up to I orbitals in DFT
  - Fix out-of-bound issue in DFT hessian for heavy atoms (>=19)
* Deprecation
  - SM60 is not supported in PyPi package

v1.3.1 (2025-02-04)
-------------------
* New Features
  - Analytical Hessian for PCM solvent model
  - Driver for 3c methods (wB97x-3c, R2Scan-3c, B97-3c, etc.)
* Improvements
  - Preconditioner and computation efficiency of Davidson iterations for TDDFT


v1.3.0 (2025-01-07)
-------------------
* New Features
  - PBC analytical Fourier transform on GPU
* Improvements
  - Optimized computation efficiency and memory footprint for density fitting Hessian
  - Support pickle serialization for most classes (SCF, DF, PCM, etc.)
  - Efficiency of moving CuPy arrays between GPU cards


v1.2.1 (2024-12-20)
-------------------
* New Features
  - Change the license from GPL v3.0 to Apache 2.0
  - Multi-GPU support for SCF, Gradients, and Hessian computation using AO-direct algorithm
  - Add PBC HF and DFT with k-points, UHF/UKS, and density fitting
* Improvements
  - Change the default conv_tol_cpscf = 1e-3 / batch of atoms to conv_tol_cpscf = 1e-6 / atom
  - Fix numerical instability in complex-valued TDHF diagonalization
  - Improve PCM and QMMM with int1e_grids kernel
  - Support non-symmetric int3c2e integral
  - Optimize Hessian calculation with direct SCF
  - Improve the numerical stability of int3c2e for point charge
  - Add CI workflow for multi-GPU
* Fixes
  - Fix non-contiguous array error in p2p transfer between GPUs.
  - Fix bugs in NMR calculations


v1.2.0 (2024-12-09)
-------------------
* New Features
  - Spin-conserved TDA and TDDFT methods
  - Spin-flip TDA method.
  - J-engine using McMuchie-Davidson integral algorithm
  - Support multi-GPU density fitting energy, gradients and Hessian computation.
  - Second order SCF solver
* Improvements
  - Support non-hermitian density matrix in J/K builder
  - Secondary grids for CPHF solver
  - 3-center integral computation efficiency for gradients and hessian
  - One-electron Coulomb integrals against point charges and Gaussian charge distributions on grids.
  - Automatically apply SCF initial guess from existing wavefunction


v1.1.0 (2024-10-29)
-------------------
* New Features
  - Add esp charge and resp charge by @wxj6000 in #208
  - New Rys kernel by @sunqm in #221
  - Optimize nuclear gradients using new Rys kernel by @sunqm in #224
  - GPU kernel for analytical hessian by @sunqm in #227
  - Add QM/MM by @MoleOrbitalHybridAnalyst in #218
* Improvements
  - Improved compatiability with pyscf 2.7.0 by @wxj6000 in #216
  - Add skipping SCF cycles by @kvkarandashev in #229
  - Skip building gint, gvhf, ... when building libxc by @wxj6000 in #210
* Bugfix
  - Typo in build_wheels.sh by @wxj6000 in #209
  - Typo in dft_driver.py by @wxj6000 in #220
  - Bugfix: cusolver error when specifying gpu by @wxj6000 in #213
  - Bugfix: error in int2c2e by @wxj6000 in #212
  - Bugfix: inconsistent gradient with CPU. Improved to_cpu, uks gradient, and grid_response by @wxj6000 in #230
  - Bugfix: recompute int3c2e in DF UHF by @wxj6000 in #226
  - New Contributors
  - @MoleOrbitalHybridAnalyst made their first contribution in #218
  - @kvkarandashev made their first contribution in #229


v1.0.2 (2024-09-03)
-------------------
* Bugfix: append data in h5 file by @wxj6000 in #200
* Support customized CHELPG radii by @wxj6000 in #202
* Add cupy installation guide for developer installation instructions by @henryw7 in #204
* Bugfix: save density when spin unrestricted by @wxj6000 in #205
* Add chkfile support for pysisyphus by @henryw7 in #203


v1.0.1 (2024-08-24)
-------------------
* Bugfix in rks.reset by @wxj6000 in #191. The bug leads to the failure of geometry optimization with direct SCF (#190)
* Bugfix when CUDA unified memory is disabled. Removed CUDA unified memory in libxc, and reduced the overhead in calling libxc @wxj6000 in #180, #189
* Bugfix and Improvement in opt_driver by @wxj6000 in #187 #197
* Support SMD in opt_driver and dft driver @liuyu-chem1996 in #196
* Support thermo calculation in dft_driver @liuyu-chem1996 in #192


v1.0.0 (2024-07-23)
-------------------
Released features:
* Density fitting scheme and direct SCF scheme
* SCF, analytical gradient, and analytical Hessian calculations for Hartree-Fock and DFT
* Spin-conserved and spin-flip TDA and TDDFT for excitated states
* Nonlocal functional correction (vv10) for SCF and gradient
* PCM models, SMD model, their analytical gradients, and semi-analytical Hessian matrix
* Unrestricted Hartree-Fock and unrestricted DFT, gradient, and Hessian
* MP2/DF-MP2 and CCSD (experimental)
* Polarizability, IR, and NMR shielding (experimental)
