GitHub - mortele/VMC: Variational Monte Carlo solver for atoms and diatomic molecules written from scratch in C++. It is possible to use the output HF basis from github.com/mortele/Hartree-Fock as the Slater determinant and let the VMC scheme optimize only the Jastrow factor.

Branches Tags

Name		Name	Last commit message	Last commit date
Latest commit History 71 Commits
app		app
src		src
tests		tests
tools		tools
.gitmodules		.gitmodules
VMC.pro		VMC.pro
defaults.pri		defaults.pri

About

Variational Monte Carlo solver for atoms and diatomic molecules written from scratch in C++. It is possible to use the output HF basis from github.com/mortele/Hartree-Fock as the Slater determinant and let the VMC scheme optimize only the Jastrow factor.

c-plus-plus quantum-monte-carlo variational-monte-carlo