QMCTorch
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
Module contents
QMCTorch
Docs
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Quantum Monte Carlo with Pytorch
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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
Multi CPUS/GPUs support with Horovod
API
Subpackages
Module contents
Indices and tables
¶
Index
Module Index
Search Page
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