Graphics Processing Units Molecular Dynamics
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Updated
Sep 13, 2024 - Cuda
Graphics Processing Units Molecular Dynamics
Phonon is a responsive front-end framework with a focus on simplicity and flexibility
Ab initio simulator for thermal transport and lattice anharmonicity
Phonon anharmonicity analysis from molecular dynamics
LAMMPS interface for phonon calculations using phonopy
A Python package for calculating thermodynamic properties under quasi-harmonic approximation, using data from ab-initio calculations
Open-source software to post-process Abinit (https://www.abinit.org) data and more ! See qAgate (https://github.com/piti-diablotin/qAgate) for more advanced Graphical User Interface
Semiemperical quasiharmonic thermal elasticity
Radiative transport in 3D Earth models
Auto-generated C# / .NET bindings for Valve's Steam Audio (Phonon)
A 200-line MATLAB code for calculating the dynamical matrix using the Tersoff potential
Open-source software to post-process Abinit (https://www.abinit.org) data and more ! See qAgate (https://github.com/piti-diablotin/qAgate) for more advanced Graphical User Interface
Python bindings for "Siesta as a subroutine" DFT
Automated all-functionals infrared and Raman spectra, and phonons.
A simple web control panel for Raspberry Pi
Set of Fortran codes for TDA, 2 and 3 -phonon diagonalization of nuclear Hamiltonian within Equation-of-motion Phonon Method
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