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automatic_testing

centralized-workflow-exercise

cudacourse

dft_gridio

Contains Python modules for efficient reading and writing of file formats containing values on a grid of points used by DFT codes.

forking-workflow-exercise

CodeRefinery forking exercise

hpc-python

Python in High Performance Computing

kpfm_fem

This Python package is intended to help running finite element method (FEM) calculations related to modeling the macroscopic part of the KPFM probe and storing the results.

mathematicaforppstm

Mathematica notebooks with ideas and formula derivations for PP-STM code

mathemticafordftnspm

Mathematica notebooks for processing, plotting and visualizition of outputs (and sometimes also inputs) of DFT codes (VASP, FHI-AIMS, Fireball, GPAW and maybe others) and results of SPM (simulations)

ppstm

OUTDATED: reposity moved to: github.com/Probe-Particle/PPSTM ; BEFORE: Code simulating variousSTM techniques, especially for tilting tip (dependent on ProkopHapala/ProbeParticleModel)

recipe

test_github_workflow

vasp

Scripts for analyzing VASP output and preparing VASP input.

word-count