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conda-forge.org : siesta
SIESTA is both a method and its computer program implementation, to perform efficient electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids. SIESTA's efficiency stems from the use of strictly localized basis sets and from the implementation of linear-scaling algorithms which can be applied to suitable systems. A very important feature of the code is that its accuracy and cost can be tuned in a wide range, from quick exploratory calculations to highly accurate simulations matching the quality of other approaches, such as plane-wave and all-electron methods.
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purl: pkg:conda/siesta
Keywords: Density functional theory
License: CNRI-Python-GPL-Compatible
Latest release: almost 3 years ago
First release: over 1 year ago
Dependent packages: 1
Dependent repositories: 1
Stars: 53 on GitLab.com
Forks: 62 on GitLab.com
Total Commits: 4094
Committers: 55
Average commits per author: 74.436
Development Distribution Score (DDS): 0.626
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Last synced: 25 days ago