Stop

prints stop

This WaNo prints a stop message

DFT-VASP

dft VASP

The DFT-VASP WaNo implements a wide range of methods available within the VASP code

Projectile-motion

projectile motion lift air resistance

This WaNo performs a Projectiles motion simulation of a golf ball.

pyiron workflow: tensile test

workflow pyiron ontology sparql experiment tensile_test

In this workflow, an experimental dataset of a tensile test is obtained via sparql queries to a triple store. Then the elastic modulus of the sample is calculcated and the result is returned to a triple store.

pyiron workflow template

workflow template keyword1 keyword2

description of what the workflow does

pyiron-fenics workflow (demo): membrane under Gaussian load

pyiron fenics membrane deflection

The workflow uses FEniCS FEM solver to solve Poisson Equation for deflection of a circular membrane under a distributed Gaussian load

Table-Generator

table csv yml

This WaNo uses a python script to generate a table in .csv and .yml formats.

MyWaNo

SimStack WaNo template

This is a WaNo Template

PMD onboarding workshop: pyiron

pyiron workshop workflows

The pyiron workflows presented in PMD onboarding workshop, 2021-04-29

pyiron workflow: lammps-damask interface

pyiron lammps damask mechanical response

The workflow obtain macroscopica mechanical response based on atomistic mechanical properties

Morse-pot

distance diatomic molecules

This WaNo perform a plot of Morse potential for diatomic molecules

Plot-Figures

figure subplot csv yml

This WaNo will make a plot of the inquired data. It allows us to switch between Same-graph and Subplot modes

Range-It

WaNo list float int

This WaNo creates a Float or integer list in a yml file with a customized range of data.

Q-ESPRESSO

dft vdw_corr input_dft

This WaNo performs DFT calculations