FabMD

FabMD is a FabSim3 plugin for automated LAMMPS-based simulations.

This plugin provides functionality to extend FabSim3's workflow and remote submission capabilities to LAMMPS specific tasks.

For the full FabMD documentation, please visit https://fabmd.readthedocs.io

EasyVVUQ+FabMD

After updating the following files with your credentials

  -FabSim3/deploy/machines_user.yml
  -FabSim3/deploy/machines.yml
  -FabSim3/plugins/FabMD/machines_FabMD_user.yml

run the following:

  -  fabsim   <remote machine name>   lammps_init_run_analyse_campaign:fabmd_easyvvuq_InRuAn

and copy the results back to your local machine with

  -  fabsim  <remote machine name>   fetch_results

Name		Name	Last commit message	Last commit date
Latest commit History 128 Commits
blackbox		blackbox
config_files		config_files
doc		doc
docs		docs
python		python
templates		templates
tests		tests
.gitignore		.gitignore
.readthedocs.yaml		.readthedocs.yaml
FabMD.py		FabMD.py
README.md		README.md
check_PEP8.sh		check_PEP8.sh
gromacs_ensembles.py		gromacs_ensembles.py
lammps_restart.py		lammps_restart.py
logo.png		logo.png
machines_FabMD_user.yml		machines_FabMD_user.yml
requirements_dev.txt		requirements_dev.txt