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Calling `(dot-eigenvectors ev band-start)` for some set of eigenvectors `ev` appears to effect a change to the computed eigenvectors when `mu_inv` is not null (i.e. when **μ** ≠ **1**, equivalently wh…
thchr updated
6 years ago
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@scottfredericks , I suggest you start with the code which we had for atomic crystals.
1, copy structure.py to a new file (structure_molecule.py?)
2, for a given molecule (like H2O), we still rand…
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This is an issue that I suspect is more to do with my ineptitude than with an actual bug or flaw in the code.
I am interested in running a principle component analysis on a relatively short traject…
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As reported by BDR:
> §A 3.1 of the 'R Installation and Administration Manual' describes how the reference BLAS and LAPACK implementations can be replaced by external versions with in principle fa…
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There should be an mechanism to add further vertex attributes to the networks. The idea is to add these after the network creation (e.g., in a file `util-covariates.R`) as they are likely generated fr…
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redrock incorrectly doesn't track the number of pixels used in the chi2 vs. redshift calculations, which causes a bias when there are masked pixels such that the number of degrees of freedom varies wi…
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Add moment of inertia tensor function into `mock_observables`. For an input set of points `sample1` with shape with shape (npts1,3), an input set of points `sample2` with shape (npts2, 3), and an inpu…
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The following example demonstrates numerical issues with numpy.linalg.eig with numpy installed from either numpy‑1.11.3+mkl‑cp35‑cp35m‑win32.whl or numpy-1.12.0+mkl-cp35-cp35m-win32.whl:
import…
kaba2 updated
6 years ago
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Continuing the thread from https://github.com/biocore/scikit-bio/issues/685
I think having a compositional biplot would be a really nice asset to Emperor.
- It can approximate correlations between OT…
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## Rationale
For solving magnetostatic problems for example, we require continuity of the tangential component of the vector potential but not continuity of the normal component.
## Description
…