Git Create a Branch List all your branches: $ git branch -a Create a New Branch git checkout -b new-branch-name Or, checkout the branch you want to use: $ git checkout <feature_branch> ...

Unwrap atom coordinates To calculate diffusion coefficient from the mean-square-displacement, we need to unwrap the atom coordinates. https://atomsk.univ-lille.fr/doc/en/mode_unwrap.html Ref: A...

Basic Concepts Contact Angle Pore Size Distribution fdsfdsfds fdsfdsfds fdsfdsf \ nnnnnnnn nnnnnn aaaaa fdsfdsfds fdsfds Ref: Quick start guide MDAnalysis Examples

Show current origin git remote -v Remove your current, expired, remote URL: git remote remove origin Github token Using an Access Token for the first time Follow the instructions on Github to C...

list environments conda env list creat and remove environments # creat the environment named ENV_NAME conda create --name ENV_NAME python==3.9 # remove the environment named ENV_NAME conda remov...

Free energy Represent phase diagram

Set up SSH keys ssh-keygen -t rsa -b 4096 -C "work.emailid" Enter file in which to save the key (/Users/mark/.ssh/id_rsa): ./id_rsa_freecafe Add the SSH (public) key ...

Forcefield Bis(fluorosulfonyl)amide, [N(SO2F)2]-, FSI (OPLS) References: Molecular Force Field for Ionic Liquids Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)

Changes display defaults # Changes display defaults display resize 600 600 axes location off display projection orthographic color Display Background white color Name {L} silver Set the unitcell ...

Ref: mathplotlib: mathematical expressions Making better plots with matplotlib.pyplot in Python3 Improve matplotlib