This is stars and forks stats for /aoterodelaroza/refdata repository. As of 03 May, 2024 this repository has 11 stars and 8 forks.
Refdata Overview This repository provides a collection of databases for benchmarking quantum mechanical methods. The bulk of the repository are the 20_xx directories, which contain the structures for several popular benchmark sets for which highly accurate reference data (or maybe otherwise) are known. The structures are provided in xyz, Gaussian input format (gjf), and, occasionally, in nwchem input format (nw). We will go adding more formats as needed. The 25_xx directories contain crystal structures....
Refdata Overview This repository provides a collection of databases for benchmarking quantum mechanical methods. The bulk of the repository are the 20_xx directories, which contain the structures for several popular benchmark sets for which highly accurate reference data (or maybe otherwise) are known. The structures are provided in xyz, Gaussian input format (gjf), and, occasionally, in nwchem input format (nw). We will go adding more formats as needed. The 25_xx directories contain crystal structures....
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