Control: retitle -1 O: openmx -- nano-scale material simulations Control: reassign -1 wnpp
Nobody of the Science Team cared to fix openmx's RC bug so the package was removed from testing 3 years ago. I am orphaning it now. Please only consider adopting if you can afford the time to maintain the package. Description: package for nano-scale material simulations OpenMX (Open source package for Material eXplorer) is a program package for nano-scale material simulations based on density functional theories (DFT), norm-conserving pseudopotentials and pseudo-atomic localized basis functions. Since the code is designed for the realization of large-scale ab initio calculations on parallel computers, it is anticipated that OpenMX can be a useful and powerful tool for nano-scale material sciences in a wide variety of systems such as biomaterials, carbon nanotubes, magnetic materials, and nanoscale conductors.
