Isaac

icon indicating a website link https://icn2.cat/en/staff-directory?member=1384

icon company Catalan Institute of Nanoscience and Nanotechnology (ICN2) icon location Bellaterra (Barcelona), Spain icon location Theoretical chemist working on materials modelling

Results 3 issues of Isaac

Automatic identification of rings in sisl.Geometry()

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The idea of this feature would be to have an automated search of rings of a particular number of atoms (that is, squares, pentagons, hexagons, etc) within a sisl.Geometry() object....

Minor changes to TB_01 and TB_02

Mainly typos here and there, and adding/moving a couple of sentences in *TB_02*. As you will see, for the extra lines that I added in *TB_02* (e.g. `tbtrans RUN.fdf >...

Changes to tight-binding tutorials TB_06 to TB_09

Most tutorials contain many minor changes. A couple of them (*TB_07* and *08*, if I recall) contain more substantial changes, which we previously discussed (equation variables etc). Note that in...