Symmetric Density Fitting in AFQMC

QMCPACK / qmcpack

Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support

http://www.qmcpack.org

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Symmetric Density Fitting in AFQMC #781

Open mmorale3 opened 6 years ago

mmorale3 commented 6 years ago

Complete pyscf converter for GDF density fitting routine and add Symmetric Factorized Hamiltonian to QMCPACK/AFQMC

fdmalone commented 4 years ago

@mmorale3 is this still planned?