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: [email protected]
Reporter: [email protected]
QA Contact: [email protected]
CC: [email protected]
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.
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