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jQMC v0.1.0a1
GitHub
Installation
Examples
Technical notes
Atomic orbitals (AOs) and Basis sets
Wave functions
Variational Monte Carlo (VMC)
Lattice Regularized Diffusion Monte Carlo (LRDMC)
Atomic forces calculations by VMC and LRDMC
JAX compatible modules
Interfaces with TREX-IO
API reference for the command-line interface (jqmc)
API reference for the command-line tool (jqmc-tool)
API reference for modules
jqmc package
How to cite jQMC
References
Change Log
.md
.pdf
Technical notes
Technical notes
#
Technical notes of
jQMC
.