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Organizations

@SMTG-UCL

Pinned repositories

  1. materials-toolbox

    A collection of scripts to help with general comp chem hpc work

    Python

  2. bapt

    Band alignment plotting tool

    Python 1 1

  3. kramers-kronig

    Calculate the real part of the dielectric function from the imaginary part

    Jupyter Notebook 1

  4. alpha2conc

    Calculate carrier concentrations for a material in the AM1.5G solar spectrum.

    Jupyter Notebook

438 contributions in the last year

Oct Nov Dec Jan Feb Mar Apr May Jun Jul Aug Sep Oct Mon Wed Fri

Contribution activity

October 2018

Created a pull request in hackingmaterials/matminer that received 13 comments

Rewrite MultipleFeaturizer

Summary Currently MultipleFeaturizer suffers from a number of issues, including: Does not show progress bars for individual featurizers. Does not …

+182 −132 13 comments

Created an issue in materialsproject/pymatgen that received 3 comments

miller_index_from_sites gives wrong miller index

The pymatgen.core.surface.miller_index_from_sites method gives incorrect results. It also seems quite temperamental about the choice of coordinates…

3 comments
42 contributions in private repositories Oct 2 – Oct 21

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