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Alan W. Irwin |
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Hosted by |
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FreeEOS |
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Announcement of FreeEOS-1.5.0 |
FreeEOS-1.5.0 has been released on 2005-08-29. The principal change to the software is that older versions of FreeEOS used series approximation for the J and K exchange integrals for the EOS1 option suite while this release uses a second-order fit to the J and K exchange integrals for the EOS1 option suite. These fits and, in fact, the entire exchange implementation have been described in Paper IV. This change in the EOS1 exchange treatment introduces only negligible changes to the results. However, the new treatment removes a small discontinuity in EOS results that occurred with the series approach (since two series were involved for each integral, and there were slightly different results at the mutual boundary between where the two series were used). This small discontinuity would sometimes interfere with the final Newton-Raphson convergence so FreeEOS-1.5.0 should be more robust than older versions. Download the FreeEOS-1.5.0 tarball from here and have a look at the release notes and ChangeLog here.
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Alan W. Irwin |
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Hosted by |