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> The changes aren't good because currently iota_r will be computed on your non-uniform straight field line grid sfl_grid, which will be signficantly less accurate do to worse convergence properties o…
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From the available radial integration schemes the Becke one seems to not create a proper integration grid as the number of electrons is overestimated:
````python
from pyscf import dft, gto
mol …
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Hello all! This issue is seeking thoughts on a core part of `scipy.integrate`. More than that, it is proposing an enhancement that I and others are willing and able to work towards.
Integrating a f…
izaid updated
2 weeks ago
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https://github.com/Ferrite-FEM/Ferrite.jl/blob/98e2b674a8c6d740a779c022de31f73051cb353c/src/Quadrature/gaussquad_tet_table.jl#L29
Negative quadrature weights can cause all sorts of issues when inte…
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### What problem is your feature request solving?
#101 introduces the GNU Scientific Library (GSL) as a private dependency for the segmentation library. Specifically, the new `CubicSplineMT` class us…
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I would like to request a function that could return weights and points for the [Lebedev quadrature](https://en.wikipedia.org/wiki/Lebedev_quadrature) (doi:[10.1016/0041-5553(76)90100-2](https://doi.o…
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The settings of numerical integration grids for molecular systems should be added to somewhere in NumericalSettings.
The angular grid scheme, the radial grid scheme, atom partitioning, and pruning …
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We should allow users to input MTZs with intensity columns, so that e.g. MTZs straight out of crystFEL can be diffmap'd.
This leads to a question, though: if meteor discovers an MTZ has both an int…
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the has a function called -gsl_integration_fixed- that isn't available at the integration module of CythonGSL
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BeamDyn does not currently check for consistency between the number of trapezoidal quadrature points and the number of finite-element nodes. If there are too few trapezoidal quadrature points for the…