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Showing posts with label
computational
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Showing posts with label
computational
.
Show all posts
24 July 2015
614. SIESTA with MPI and acml on debian jessie
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One of my students might be using SIESTA for some simulations, and a first step towards that is to set it up on my cluster. This isn't...
05 July 2012
202. Reproducing the paper: computing organic reduction potentials
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This post is not altogether finished yet -- will be updated with additional results as they come in This isn't as much as a straight r...
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