1999-05-19 13:37:08 +00:00
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DeFT is a density functional moleculat orbital
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calculation program.
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Basis sets are prepared for H to Xe.
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1999-05-19 14:20:07 +00:00
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WWW: http://www.chem.uottawa.ca/DeFT.html
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1999-05-19 13:37:08 +00:00
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2000-06-07 17:10:12 +00:00
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Potring to 4.0-CURRENT (__FreeBSD_version == 400005) and later versions
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have been assisted greatly by Glenn Johnson <gjohnson@nola.srrc.usda.gov>,
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thanks a lot !
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He found a couple of troublesome in optimization using g77 at FreeBSD 4,
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then it is recommended to use f2c/cc.
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1999-05-19 13:37:08 +00:00
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--
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rmiya
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