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Showing posts with label
dalton
.
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Showing posts with label
dalton
.
Show all posts
11 June 2013
446. B3LYP and WAH -- the confusion
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Quite a while back I was looking at the WAH (Wilson-Amos-Handy) functional, and while it turned out to be a bit more complicated than I had ...
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06 November 2012
276. Compiling Dalton 2011 on Debian Testing/Wheezy
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UPDATE: To deal with basis sets and 'GPOPEN' errors, see bottom of this post UPDATE2: Because of the basis set issue the code doesn...
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