Leandro Martínez

icon indicating a website link http://m3g.iqm.unicamp.br

icon company Institute of Chemistry - Universidade Estadual de Campinas (UNICAMP) icon location Campinas, SP, Brazil icon location Computational chemist. Author of Packmol, ComplexMixtures.jl, CellListMap.jl. See: http://github.com/m3g

Results 112 comments of Leandro Martínez

make unitcell matrix column major

I thought about that. It is not clear to me if that can be considered a bug and the docs are correct, though. I don't have a strong opinion. Feel...

make unitcell matrix column major

I sort of need a definition on this. Lets keep it as is, and let the change in row order for the next breaking version? Then I'll handle that within...