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davidkleiven / CEMC

DEPRECATED: Monte Carlo package targeted at systems studied with the Cluster Expansion.
MIT License
3 stars 2 forks source link

ase.clease #99

Open qingyang0315 opened 3 years ago

qingyang0315 commented 3 years ago

I run "pip3 install ase", but can not import "ase.cleae", then i seperately install clease "pip3 install clease" but cannot import ase.clease either. I really wonder how to install "ase.clease". Thanks.

davidkleiven commented 3 years ago

Hi,

this (CEMC) is a deprecated project. The official CLEASE repository can be found here. In the early days of CLEASE it was developed under a fork of ASE, however as the code base grew, we decided to not develop it under ASE, but as an external package that uses ASE as a dependency. Therefore, in order to install you do as you did (e.g. pip install clease), and no further installation steps should be necessary. Instead of import ase.clease you import things directly from the clease package.

from clease.settings import Concentration

There are also tutorials available here