QMCTorch Logo
paper

QMCTorch

  • Installation
  • Quantum Monte Carlo: a 1 min introduction
  • Wave Function ansatz in QMCTorch
  • Exploring the results with h5web

Tutorial

  • Create a molecule
  • Sampling and Energy Calculation of a Water Molecule
  • Wave Function Optimization
  • Geometry Optimization
  • Single GPU Support

Advanced Tutorial

  • Correlation and Blocking
  • Creating your own Jastrow Factor
  • Creating your own Backflow transformation
  • Multi CPUS/GPUs support with Horovod

API

  • Subpackages
    • qmctorch.sampler package
    • qmctorch.scf package
    • qmctorch.solver package
    • qmctorch.utils package
    • qmctorch.wavefunction package
      • Subpackages
        • qmctorch.wavefunction.jastrows package
        • qmctorch.wavefunction.orbitals package
        • qmctorch.wavefunction.pooling package
      • Submodules
      • Module contents
  • Module contents
QMCTorch
  • Docs »
  • Subpackages »
  • qmctorch.wavefunction package »
  • qmctorch.wavefunction.orbitals package »
  • qmctorch.wavefunction.orbitals.backflow package »
  • qmctorch.wavefunction.orbitals.backflow.kernels package
  • Edit on GitHub

qmctorch.wavefunction.orbitals.backflow.kernels package¶

Submodules¶

  • qmctorch.wavefunction.orbitals.backflow.kernels.backflow_kernel_autodiff_inverse module
  • qmctorch.wavefunction.orbitals.backflow.kernels.backflow_kernel_base module
  • qmctorch.wavefunction.orbitals.backflow.kernels.backflow_kernel_fully_connected module
  • qmctorch.wavefunction.orbitals.backflow.kernels.backflow_kernel_inverse module
  • qmctorch.wavefunction.orbitals.backflow.kernels.backflow_kernel_power_sum module
  • qmctorch.wavefunction.orbitals.backflow.kernels.backflow_kernel_square module

Module contents¶

Next Previous

© Copyright 2020, Nicolas Renaud Revision 5d01451d.

Built with Sphinx using a theme provided by Read the Docs.