Time-evolution of a wavefunction using a Krylov subspace expansion
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May 9, 2019 - C++
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hamiltonian
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A parallel and GPU-accelerated Code for Real-Space All-Electron Linear-Scaling Density Functional Theory
spectrum
openmp
density-functional-theory
gpu-acceleration
finite-difference
sparse-linear-systems
electron-density
sparse-matrix
hamiltonian
linear-solvers
electronic-structure
electronic-structure-calculations
sparse-linear-solver
pseudopotential
cuda-programming
projector-augmented-wave
mpi-parallelization
non-collinear-magnetism
local-density-approximation
tfqmr
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Oct 31, 2024 - C++
here we treat algorithms like never before!
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Dec 29, 2022 - C++
graph
graph-algorithms
routing
graph-theory
graph-api
hamiltonian
graph-analysis
hamiltonian-dynamics
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Jan 5, 2019 - C++
c++ header-only library for scientific programming.
math
geometry
physics
dynamics
linear-algebra
measurements
hamiltonian
units-of-measurement
lagrangian
autodifferentiation
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Jul 19, 2023 - C++
A graph header file implementing graph algorithms.
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Updated
Jan 17, 2022 - C++
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