Quantum chemistry in parallel with PQS

@article{Baker2009QuantumCI,
  title={Quantum chemistry in parallel with PQS},
  author={Jon Baker and Krzysztof Wolinski and Massimo Malagoli and Donald B. Kinghorn and Pawel Wolinski and G{\'a}bor Magyarfalvi and Svein Saebo and Tomasz Janowski and Peter Pulay},
  journal={Journal of Computational Chemistry},
  year={2009},
  volume={30}
}
This article describes the capabilities and performance of the latest release (version 4.0) of the Parallel Quantum Solutions (PQS) ab initio program package. The program was first released in 1998 and evolved from the TEXAS program package developed by Pulay and coworkers in the late 1970s. PQS was designed from the start to run on Linux‐based clusters (which at the time were just becoming popular) with all major functionality being (a) fully parallel; and (b) capable of carrying out… Expand
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