Computational Chemistry Graduate Student at the University of Pittsburgh
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Sandia National Laboratories
- amandadumi.github.io
Highlights
- Pro
Pinned Loading
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cclib
cclib PublicForked from cclib/cclib
Parsers and algorithms for computational chemistry logfiles
Python
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qmcpack
qmcpack PublicForked 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.
C++
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