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Last Update:2021/03/05
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License
GPL License
Availability | Unix/Linux上で要コンパイル |
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Inquiry / Application RequestAn open-source first-principles calculation library for pseudopotential and all-electron calculations. One of or a mixture of Gaussian and plane wave basis sets can be used. A lot of the development focuses on massively parallel calculations and linear scaling. The user can choose various calculation methods including density functional theory and Hartree-Fock.
Availability | Unix/Linux上で要コンパイル |
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Related keywords |