QMCTorch
development
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
Combining several Jastrow Factors
Multi CPUS/GPUs support with Horovod
API
Subpackages
Module contents
QMCTorch
Quantum Monte Carlo with Pytorch
Edit on GitHub
Quantum Monte Carlo with Pytorch
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
Combining several Jastrow Factors
Multi CPUS/GPUs support with Horovod
API
Subpackages
Module contents
Indices and tables
Index
Module Index
Search Page
Read the Docs
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