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
qmctorch.sampler package
qmctorch.scf package
qmctorch.solver package
qmctorch.utils package
qmctorch.wavefunction package
Subpackages
Submodules
qmctorch.wavefunction.slater_combined_jastrow module
qmctorch.wavefunction.slater_jastrow module
qmctorch.wavefunction.slater_jastrow_backflow module
qmctorch.wavefunction.slater_jastrow_base module
qmctorch.wavefunction.slater_orbital_dependent_jastrow module
qmctorch.wavefunction.wf_base module
Module contents
Module contents
QMCTorch
Subpackages
qmctorch.wavefunction package
qmctorch.wavefunction.slater_jastrow_backflow module
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qmctorch.wavefunction.slater_jastrow_backflow module
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