materialsmodeling/hiphive repository overview

hiPhive is a tool for efficiently extracting high-order force constants. Its full documentation can be found here⁠.

Using the images in this repository hiphive can be run in several different ways. To launch an interactive Python session

docker run -it -v $PWD:/data materialsmodeling/hiphive

Here, the current directory has been mounted in order to enable reading from and writing data to disk during the session.

One can also run scripts directly via

docker run -it -v $PWD:/data materialsmodeling/hiphive my-script.py