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Argonne National Laboratory
Ideas on some improvements in programming, focused on scientific applications.
Translation of Mantevo mini-apps into other languages
Scripts and supporting material to validate QMC codes
Forked from 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.
Input files for quantum chemistry packages
in the last year
There are several areas that would benefit from machine-readable output that is separate from the human-readable output.
metadata for estimator po…
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