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dftlibs / numgrid

Numerical integration grid for molecules.
Mozilla Public License 2.0
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[Bug] One of the last Lebedev quadratures stored in numgrid's table is not implemented in liblebedev #20

Closed bast closed 6 years ago

bast commented 6 years ago

One of the last Lebedev quadratures stored in numgrid's table is not implemented in liblebedev, so it crashes every time one tries to use a larger value for maximum angular quadrature points (because the interpolation routine will attempt to use it regardless). Reported by @jaimeaxel