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Search results for c plus plus density functional theory

density-functional-theory x

11 search results found

Domain specific library for electronic structure calculations

DFT-FE: Real-space DFT calculations using Finite Elements

p4vasp, the VASP Visualization Tool

MultiResolution Chemistry

Dftquantumdot ⭐ 19

Density Functional Theory with plane waves basis, applied on a 'quantum dot'. Volumetric visualization of orbitals with VTK

Density Functional Theory in real space, for atoms, LDA and LSDA

An open-source library for reduced-density matrix-based analysis and computation

Proteindf ⭐ 12

Canonical (Kohn-Sham) molecular orbital calculation software for large molecules such as protein

This repository mirrors the principal Gitlab repository of the Chebyshev Accelerated Subspace iteration Eigensolver. If you want to contribute as developer to this project please contact [email protected].

Integratorxx ⭐ 8

Reusable DFT Grids for the Masses

Xatu solves the Bethe-Salpeter equation in solids to obtain the exciton spectrum

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