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QuantumPackage/data/basis/00_README.rst

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2020-02-04 19:04:36 +01:00
${QP_ROOT}/data/basis contains basis set files. Install here the basis set
files you use regularly. GAMESS US format is required.
2019-01-25 11:39:31 +01:00
Basis sets can be easily downloaded from the Basis Set Exchange Website
https://www.basissetexchange.org , or using the command-line tool they
provide.
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In addition, you can use the qp_basis tool to install new basis sets.