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lapw

Here are 2 public repositories matching this topic...

SIRIUS

electronic-structure / SIRIUS

Domain specific library for electronic structure calculations

gpu mpi cuda density-functional-theory rocm electronic-structure-calculations pseudopotential planewave full-potential lapw

Updated Nov 14, 2024
C++

aromanro / APW

Augmented Plane Waves (both APW and LAPW), band structure computation

quantum-mechanics computational-physics vtk wxwidgets-applications condensed-matter schrodinger-equation electronic-structure electronic-structure-calculations apw vtk-applications numerov wx-widgets condensed-matter-physics augmented-plane-waves lapw numerov-method

Updated Feb 7, 2024
C++

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