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V2.1

Vicentini Filippo requested to merge v2.1 into master

Created by: gcarleo

Summary for version 2.1

This version is a direct follow-up of version 2.0, refining and improving several aspects of the transition undergone when shifting to being a python library built on c++ primitives. This version also includes several new functionalities and improves installation on common platforms (including conda).

New functionalities

  1. Support for open quantum systems, including various density matrix ansatz states, and solvers for the stationary Lindblad equation @PhilipVinc.
  2. Add support for PyTorch machines @nikita-astronaut @twesterhout
  3. Progress bar for VMC drive @orialb
  4. Separate the SR driver as a standalone optimizer @femtobit
  5. Make J and use of sign rule configurable for Heisenberg Hamiltonian @femtobit
  6. Add batched samplers @twesterhout @gcarleo @femtobit

Library changes

  1. Introduce python abstract classes for Machines and Samplers @gcarleo
  2. Added a few numba kernels for performance @gcarleo
  3. Support for conda installs
  4. Move to a simpler solution for documentation @gcarleo
  5. Write most high-level drivers in pure python @femtobit @gcarleo @PhilipVinc
  6. Add some code documentation for RBMs @amitkumarj441
  7. Expose a to_array method for Python machines @tvieijra
  8. Start removing look-up table logic in machines @twesterhout

Known issues

  • Windows is not supported

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