Shared-memory parallelization of the TURBOMOLE programs AOFORCE, ESCF, and EGRAD: how to quickly parallelize legacy

Christoph van Wüllen1

  • 1Fachbereich Chemie and Forschungszentrum OPTIMAS, Technische Universität Kaiserslautern, Erwin-Schrödinger-Straßs e, 67663 Kaiserslautern, Germany. vanwullen@chemie.uni-kl.de

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