QMCTorch
latest
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.jastrows package
»
qmctorch.wavefunction.jastrows.distance package
Edit on GitHub
qmctorch.wavefunction.jastrows.distance package
¶
Submodules
¶
qmctorch.wavefunction.jastrows.distance.electron_electron_distance module
qmctorch.wavefunction.jastrows.distance.electron_nuclei_distance module
qmctorch.wavefunction.jastrows.distance.scaling module
Module contents
¶
Read the Docs
v: latest
Versions
master
latest
stable
paper
development
Downloads
pdf
html
epub
On Read the Docs
Project Home
Builds
Free document hosting provided by
Read the Docs
.