https://bugzilla.redhat.com/show_bug.cgi?id=1631981 Bug ID: 1631981 Summary: Review Request: gau2grid - Fast computation of a gaussian function and its derivative on a grid Product: Fedora Version: rawhide Component: Package Review Severity: medium Priority: medium Assignee: nobody@xxxxxxxxxxxxxxxxx Reporter: susi.lehtola@xxxxxx QA Contact: extras-qa@xxxxxxxxxxxxxxxxx CC: package-review@xxxxxxxxxxxxxxxxxxxxxxx Spec URL: https://jussilehtola.fedorapeople.org/gau2grid.spec SRPM URL: https://jussilehtola.fedorapeople.org/gau2grid-1.2.0-1.fc28.src.rpm Fedora Account System Username: jussilehtola Description: A collocation code for computing gaussians on a grid of the form: out_Lp = x^l y^m z^n \sum_i coeff_i e^(exponent_i * (|center - p|)^2) This version has been built with -DCARTESIAN_ORDER=row -DSPHERICAL_ORDER=gaussian for compatibility with psi4. This package is necessary for updating psi4 to the 1.2 release series. -- You are receiving this mail because: You are on the CC list for the bug. You are always notified about changes to this product and component _______________________________________________ package-review mailing list -- package-review@xxxxxxxxxxxxxxxxxxxxxxx To unsubscribe send an email to package-review-leave@xxxxxxxxxxxxxxxxxxxxxxx Fedora Code of Conduct: https://getfedora.org/code-of-conduct.html List Guidelines: https://fedoraproject.org/wiki/Mailing_list_guidelines List Archives: https://lists.fedoraproject.org/archives/list/package-review@xxxxxxxxxxxxxxxxxxxxxxx
