2020-02-04 18:33:41 +01:00
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Install in this directory the basis set files you use regularly.
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GAMESS US format is required.
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2019-01-25 11:39:31 +01:00
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2020-02-04 18:33:41 +01:00
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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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2019-01-25 11:39:31 +01:00
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2020-02-04 18:33:41 +01:00
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The `install.sh` script proposed in this directory will try to download and
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install the MolSSI-BSE / basis_set_exchange database, and provide a few common
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basis sets.
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2019-01-25 11:39:31 +01:00
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2019-05-24 23:19:34 +02:00
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