Generally Applicable Atomic-Charge Dependent London Dispersion Correction
Library first implementation of the D3 dispersion correction
PyTorch Autodiff DFT-D3 Implementation.
PyTorch Autodiff DFT-D4 Implementation.
Driver to combine dftd4 and minpack/nlopt for damping parameter optimization
SHPB_Processing.py - An open-source Python algorithm for correcting stress wave dispersion in split-Hopkinson pressure bar experiments
DFT-D dispersion for Jax M.D.
Matlab code for post processing of split-Hopkinson/Kolsky bar experiments
phase_velocity.py - A Python algorithm for calculating frequency-dependent phase velocity and radial variation of elastic waves in cylindrical bars
process_SHPB.py - A Python algorithm for stress wave dispersion correction in split-Hopkinson pressure bar experiments
dispersion.py - A Python algorithm for phase angle and amplitude correction of pressure bar signals
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