qvasp: A flexible toolkit for VASP users in materials simulations
Wencai Yi, Gang Tang, Xin Chen, Bingchao Yang, Xiaobing Liu
Topics & Concepts
Computer scienceInterface (matter)User interfaceField (mathematics)Computational scienceProcess (computing)Operating systemPure mathematicsBubbleMaximum bubble pressure methodMathematicsMachine Learning in Materials ScienceGraphene research and applicationsAdvanced Chemical Physics Studies