Ascalaph量子是一個Ascalaph接口程序。 Ascalaph是執行量子力學計算最初的分子模型的發展,分子力學和動力學模擬在氣體或在凝聚相通用分子模擬軟件。它可以與外部的分子建模軟件包(MDynaMix,NWChem,CP2K,PC GAMESS /螢火蟲和Delphi)進行交互。 Ascalaph昆騰提供到從頭量子力學包NWChem,CP2K,和PC GAMESS /螢火蟲。
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Ascalaph Quantum
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