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
Single GPU Support
Define the ASE molecule and calculator
Explore the options used in the solver
Explore the results of the wave function optimization

Advanced Tutorial

Jastrow Factor
Creating your own Jastrow Factor
Combining several Jastrow Factors
Creating your own Backflow transformation

API

qmctorch
- qmctorch package
  - Subpackages
  - Module contents

QMCTorch

qmctorch
qmctorch package
qmctorch.solver package
View page source

qmctorch.solver package

Submodules

qmctorch.solver.loss module

qmctorch.solver.solver module

qmctorch.solver.solver_base module

Module contents

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© Copyright 2020, Nicolas Renaud.

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