Pinned Repositories
abinit-scripts
a handful of scripts for pre/post processing abinit calcs
conf
configuration files for various things, e.g. vimrc
effective-potato
scratch work for projects that dont need their own repos (yet...)
ElectronPhononCoupling
Post-processing of electron-phonon coupling calculations from Abinit
Molecular-Pynamics
Python MD Code for a semester project
phonon-sed
Python codes to calculate phonon spectral energy density from LAMMPS velocity data.
phonon-transmission
Harmonic phonon transmission calculations from molecular dynamics trajectories
Powder-Spectrum
Compute INS 'powder spectrum' by generate a 'uniform' mesh of Q-points with length |Q|, then calling SNAXS to compute SQW on the grid.
pynamic-structure-factor
python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parallelism over Q-points.
stunning-lamp
figures and scratch work for presentations
tyst3273's Repositories
tyst3273/phonon-sed
Python codes to calculate phonon spectral energy density from LAMMPS velocity data.
tyst3273/pynamic-structure-factor
python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parallelism over Q-points.
tyst3273/phonon-transmission
Harmonic phonon transmission calculations from molecular dynamics trajectories
tyst3273/stunning-lamp
figures and scratch work for presentations
tyst3273/effective-potato
scratch work for projects that dont need their own repos (yet...)
tyst3273/ElectronPhononCoupling
Post-processing of electron-phonon coupling calculations from Abinit
tyst3273/Molecular-Pynamics
Python MD Code for a semester project
tyst3273/Powder-Spectrum
Compute INS 'powder spectrum' by generate a 'uniform' mesh of Q-points with length |Q|, then calling SNAXS to compute SQW on the grid.
tyst3273/abinit-scripts
a handful of scripts for pre/post processing abinit calcs
tyst3273/conf
configuration files for various things, e.g. vimrc
tyst3273/elph_calculations
tyst3273/elphmod
Python modules to handle electron-phonon models
tyst3273/flash_scratch
tyst3273/lattice-pynamics
A python suite for analyzing lattice dynamics based on molecular dynamics trajectories
tyst3273/multizone_phonon_refinement
Fit phonon data from many Q-points, which come from the same reduced-q. By simultaneous fitting of many Brillouin Zones, good results can be achieved.
tyst3273/Phonon-Explorer
Phonons at your fingertips
tyst3273/snaxs
Simulating Neutron And X-ray Scans; a tool for condensed-matter scientists studying phonons using neutron scattering
tyst3273/wannier_tools
WannierTools: An open-source software package for novel topological materials. Full documentation: