SabIA-How-To
0.0.0
Nudged Elastic Band (NEB) Calculations
Creating AFM and STM images
Ehrenfest dynamics in FHI-aims
Linear absorption spectra
Transition tube sampling
Remote Development on MPCDF Clusters
Normal and Phonon Modes
Phonopy in Python
Time Correlation Functions
Dissipative Baths
GLE for a harmonic oscillator
Unit systems
Stochastic Thermostats
Temperature spacing for replica exchange molecular dynamics simulations
RPMD, TRPMD and CMD Simulations
Momentum distributions from open path PIMD
Farthest Point Sampling (FPS)
2D-VDOS correlation plots
Visualizing Molecular Orbitals
Simulating tip-enhanced Raman spectroscopy (TERS) images
SabIA-How-To
Overview: module code
All modules for which code is available
tcf.tcf
tools.baths
tools.gle
tools.units
tts.transition_tube_sampling