README.md

Project path variables and commands

Paths:

$PROJ_irox_oer $PROJ_irox_oer_gdrive $PROJ_irox_oer_data $PROJ_irox_oer_paper

Commands:

PROJ_irox_oer__comm_rclone_sync

Import links

Github repo for project code: https://github.com/raulf2012/PROJ_IrOx_OER

Github Dropbox location: https://www.dropbox.com/sh/2457uwjlftnict4/AAA5Thi4UYwcwbHqI-od4sM0a?dl=0

Workflowy link: https://beta.workflowy.com/s/irox-surface-structu/3WVcm1z8egYdgfgv

Dropbox project folder: https://www.dropbox.com/sh/5ajpxzefmqcmf6c/AAB_u5xINSMRS7zkhzR4z9vEa?dl=0

Article Overleaf link: https://www.overleaf.com/8152133417ngprszxttkws

Article @Github location: https://github.com/raulf2012/PAPER_IrOx_OER

Setting up environment

Create conda environment

conda create --name PROJ_irox_oer python=3.6.10 --no-default-packages

Python version: 3.6.10

conda install \
-c plotly \
-c conda-forge \
-c anaconda \
jupyterlab jupytext \
scikit-learn=0.23.1 matplotlib=3.2.1 scipy=1.4.1 pandas=1.0.4 \
plotly=4.8.1 chart-studio=1.1.0 plotly-orca psutil=5.7.0 colormap colorlover \
ase=3.19.1 pymatgen=2020.4.29 gpflow \
nodejs=10  tensorflow \
yaml nbclean notedown ipywidgets nb_conda_kernels nodejs dictdiffer

Run these jupyter commands to install useful labextensions

jupyter labextension install @rahlir/theme-gruvbox --no-build
jupyter labextension install axelfahy/jupyterlab-vim --no-build
jupyter labextension install @jupyter-widgets/jupyterlab-manager

TODO Move this

This was needed to get the tqdm python module to work properly with Jupyterlab

jupyter nbextension enable --py widgetsnbextension
conda install -c conda-forge ipywidgets
jupyter labextension install @jupyter-widgets/jupyterlab-manager