Skip to content

a collection of ascii plotting tools for materials chemistry

Notifications You must be signed in to change notification settings

badw/asciimatplots

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

19 Commits
 
 
 
 
 
 

Repository files navigation

asciimatplots

Description:

A (soon to be) collection of quick and dirty 'plot-to-terminal' scripts.

Installation:

git clone [email protected]:badw/asciimatplots.git

pip3 install --user .

Dependencies:

pymatgen,numpy,colorama,termplotlib


ascii-converge

Description: plots the values of Fmax and Etot for each ionic step

Requirements: OUTCAR

can be used at anystage of the relaxation

ascii-nebplot

Description: plots both the energy barrier and the image force for each image

Requirements: a converged NEB run

About

a collection of ascii plotting tools for materials chemistry

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published

Languages