thesis/ |
github.com/willemsk/phdthesis-text, CC-BY-4.0. LaTeX source of the full thesis incl. all parameter tables |
data/corrections/willems2020_nacl.yaml |
The fitted ePNP-NS correction parameters, transcribed and numerically verified |
| Author's contour script |
Read, 26 September 2026: create_polygon_contour in the author's pqr2grid (~/repos/pqr2grid, MIT, 2019). It is marching squares, the first contour, and Douglas–Peucker at 0.1 nm, with a radial-binning erratum. → knowledge/04-clya-geometry-and-charge/01-geometry-pipeline-as-executed.md#12-the-authors-contour-script-read |
| COMSOL models |
Author retains a licence and can regenerate reference solutions on demand — the project's numerical oracle |