Interfacing SIESTA to Lua scripts using the flook code
lua-library
geometry
optimization
lua-script
density-functional-theory
relaxation
conjugate-gradient
siesta
cell-vectors
lbfgs-algorithm
-
Updated
Dec 7, 2022 - Lua
Interfacing SIESTA to Lua scripts using the flook code
Add a description, image, and links to the cell-vectors topic page so that developers can more easily learn about it.
To associate your repository with the cell-vectors topic, visit your repo's landing page and select "manage topics."