Search Results for "nanotube"
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Showing 3 open source projects for "nanotube"
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qvasp
A flexible toolkit for VASP high-through materials simulations
qvasp is a material high-throughput design software based on the VASP package, which mainly includes two functions: 1. Realizing high-throughput screening of materials, qvasp program not only can realize high-throughput material structure model constructing, but also provide high-throughput raw data postprocessing toolkits. 2. Assisting users to easily generate input files and process output files, realizing rapid conversion between graphics and code, and improving work efficiency. Most... -
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WinCaGe
A Windows version of the CaGe program for generating fullerenes
WInCaGe is a software with friendly GUI for generating fullerene and capped nanotube structures. It is a WIndows version of the CaGe program, the most commonly used fullerene generator (https://www.math.uni-bielefeld.de/~CaGe/fullerenes.html), which is designed for Unix/Linux and the GUI is built on the Java platform. WinCage has integrated most of the features of CaGe v0.3, as follows: 1. Enumerating all possible fullerene isomers 2. Enumerating all possible structures of capped nanotubes... -
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NanoCap
Carbon Fullerene and Capped Nanotube Generator
NanoCap is a generic application for the construction of low energy fullerene and capped nanotube structures. It provides an ideal tool to accompany the study of finite carbon molecules using computer simulation. The implementation involves a standalone application which includes a GUI and allows for dynamic visual inspection through 3D rendering. In addition, the NanoCap core libraries can be used in custom Python scripts that enabled the user to produce structures in bulk or to include...
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