mirror of https://github.com/pfloos/quack
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353 B
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8 lines
353 B
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${QP_ROOT}/data/basis contains basis set files. Install here the basis set
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files you use regularly. GAMESS US format is required.
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Basis sets can be easily downloaded from the Basis Set Exchange Website
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https://www.basissetexchange.org , or using the command-line tool they
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provide.
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In addition, you can use the qp_basis tool to install new basis sets. |